3-benzamido-2-(2-chlorophenyl)propanoic acid

C16H14ClNO3 — CID 170945297

IUPAC3-benzamido-2-(2-chlorophenyl)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14-9-5-4-8-12(14)13(16(20)21)10-18-15(19)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,19)(H,20,21)
InChIKeyKTWVWGJGVUAUPB-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.94
Rot. Bonds5

About 3-benzamido-2-(2-chlorophenyl)propanoic acid

3-benzamido-2-(2-chlorophenyl)propanoic acid (PubChem CID 170945297) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-benzamido-2-(2-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-benzamido-2-(2-chlorophenyl)propanoic acid
PubChem CID170945297
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name3-benzamido-2-(2-chlorophenyl)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14-9-5-4-8-12(14)13(16(20)21)10-18-15(19)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,19)(H,20,21)
InChIKeyKTWVWGJGVUAUPB-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
CID 117244167
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
(2S)-2-(2-chlorophenyl)-4-(methylamino)-4-oxobutanoic acid
CID 94687943
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
2-(2-chlorophenyl)-1,4-diphenylbutane-1,4-dione
CID 6710164
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2-(2-chlorophenyl)propanoic acid?
The IUPAC name of 3-benzamido-2-(2-chlorophenyl)propanoic acid (CID 170945297) is 3-benzamido-2-(2-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-benzamido-2-(2-chlorophenyl)propanoic acid?
The canonical SMILES for 3-benzamido-2-(2-chlorophenyl)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-benzamido-2-(2-chlorophenyl)propanoic acid?
The InChIKey is KTWVWGJGVUAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-9-5-4-8-12(14)13(16(20)21)10-18-15(19)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,19)(H,20,21).
What are the key properties of 3-benzamido-2-(2-chlorophenyl)propanoic acid?
3-benzamido-2-(2-chlorophenyl)propanoic acid has a molecular weight of 303.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2-(2-chlorophenyl)propanoic acid is sourced from PubChem (CID 170945297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).