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21017-47-0 | Propanamide, 3-(phenylamino)-
CAS No: 21017-47-0 Catalog No: AG002KMR MDL No:MFCD02250783
Product Description
Catalog Number:
AG002KMR
Chemical Name:
Propanamide, 3-(phenylamino)-
CAS Number:
21017-47-0
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD02250783
IUPAC Name:
3-anilinopropanamide
InChI:
InChI=1S/C9H12N2O/c10-9(12)6-7-11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,10,12)
InChI Key:
BNXCBLMAWSXTKD-UHFFFAOYSA-N
SMILES:
NC(=O)CCNc1ccccc1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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