Name: Name:N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide
Brand: Angene
SKU: AG019VBF
Rating: 90 (10 reviews)

N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide

CAS No.:

61862-29-1

Catalog Number:

AG019VBF

Molecular Formula:

C12H10N2O3

Molecular Weight:

230.2194

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Product Description

Catalog Number:

AG019VBF

Chemical Name:

N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide

CAS Number:

61862-29-1

Molecular Formula:

C12H10N2O3

Molecular Weight:

230.2194

MDL Number:

MFCD02223124

IUPAC Name:

N-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetamide

InChI:

InChI=1S/C12H10N2O3/c1-8(15)13-9-3-2-4-10(7-9)14-11(16)5-6-12(14)17/h2-7H,1H3,(H,13,15)

InChI Key:

UYCLQMPQVKMMJO-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1cccc(c1)N1C(=O)C=CC1=O

Properties

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.223g/mol

Monoisotopic Mass:

230.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101