Name: Name:2-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)benzamide
Brand: Angene
SKU: AG019ICU
Rating: 90 (10 reviews)

2-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)benzamide

CAS No.:

713500-90-4

Catalog Number:

AG019ICU

Molecular Formula:

C15H14N2O3

Molecular Weight:

270.2833

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Product Description

Catalog Number:

AG019ICU

Chemical Name:

2-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)benzamide

CAS Number:

713500-90-4

Molecular Formula:

C15H14N2O3

Molecular Weight:

270.2833

MDL Number:

MFCD04610223

IUPAC Name:

2-amino-N-(1,3-benzodioxol-5-ylmethyl)benzamide

InChI:

InChI=1S/C15H14N2O3/c16-12-4-2-1-3-11(12)15(18)17-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9,16H2,(H,17,18)

InChI Key:

QBSDHEWYPUBPOP-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1N)NCc1ccc2c(c1)OCO2

Properties

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.288g/mol

Monoisotopic Mass:

270.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

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