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Home Aminos Cyclohexanecarboxamide, 1-(phenylamino)-

Cyclohexanecarboxamide, 1-(phenylamino)-

CAS No.:
64269-12-1
Catalog Number:
AG00IBCD
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
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Product Description
Catalog Number:
AG00IBCD
Chemical Name:
Cyclohexanecarboxamide, 1-(phenylamino)-
CAS Number:
64269-12-1
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD04971868
IUPAC Name:
1-anilinocyclohexane-1-carboxamide
InChI:
InChI=1S/C13H18N2O/c14-12(16)13(9-5-2-6-10-13)15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H2,14,16)
InChI Key:
MYHZOZJLNZBBGE-UHFFFAOYSA-N
SMILES:
NC(=O)C1(CCCCC1)Nc1ccccc1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties