3-benzamido-3-(4-chlorophenyl)propanoic acid

C16H14ClNO3 — CID 3865323

IUPAC3-benzamido-3-(4-chlorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)
InChIKeyKRVKSWSTGNFTME-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.29
Rot. Bonds5

About 3-benzamido-3-(4-chlorophenyl)propanoic acid

3-benzamido-3-(4-chlorophenyl)propanoic acid (PubChem CID 3865323) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-benzamido-3-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-benzamido-3-(4-chlorophenyl)propanoic acid
PubChem CID3865323
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name3-benzamido-3-(4-chlorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)
InChIKeyKRVKSWSTGNFTME-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chlorobenzoyl)glycine
CID 26009
3-[(4-chlorobenzoyl)amino]propanoic Acid
CID 1235725
(-)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268226
N-benzyl-4-chlorobenzamide
CID 346668
Benzoyl-L-phenylalanine
CID 97370
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
3-Phenyl-3-phenylacetylamino-propionic acid
CID 3102733
2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic Acid
CID 3616161
2-((4-Chlorophenyl)formamido)-3-methylbutanoic acid
CID 2770855
2-((4-Chlorophenyl)formamido)-4-methylpentanoic acid
CID 4994387
4-Chloro-N-cyclohexylbenzamide
CID 225461

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-3-(4-chlorophenyl)propanoic acid?
The IUPAC name of 3-benzamido-3-(4-chlorophenyl)propanoic acid (CID 3865323) is 3-benzamido-3-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-benzamido-3-(4-chlorophenyl)propanoic acid?
The canonical SMILES for 3-benzamido-3-(4-chlorophenyl)propanoic acid is O=C(O)CC(NC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-benzamido-3-(4-chlorophenyl)propanoic acid?
The InChIKey is KRVKSWSTGNFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20).
What are the key properties of 3-benzamido-3-(4-chlorophenyl)propanoic acid?
3-benzamido-3-(4-chlorophenyl)propanoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-3-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 3865323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).