2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid

C16H15ClN2O3 — CID 2974789

IUPAC2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccc(Cl)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H15ClN2O3/c17-12-6-8-13(9-7-12)18-16(22)19-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)
InChIKeyZNLCEPJDHBSVKN-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.16
Rot. Bonds5

About 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid

2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 2974789) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID2974789
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccc(Cl)cc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H15ClN2O3/c17-12-6-8-13(9-7-12)18-16(22)19-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)
InChIKeyZNLCEPJDHBSVKN-UHFFFAOYSA-N
XLogP3.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270841
(S)-2-((S)-2-{(S)-2-[3-(4-Chloro-phenyl)-ureido]-4-methylsulfanyl-butyrylamino}-4-methyl-pentanoylamino)-3-phenyl-propionic acid
CID 11801040
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
(2S)-2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 939456
(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 2012635
2-(4-Chloroanilino)-4-oxo-4-phenylbutanoic acid
CID 2931787
4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
CID 42644088
3-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoic acid
CID 42646199
(S)-3-[3''-(3-Propyl-ureido)-biphenyl-4-yl]-2-ureido-propionic acid
CID 44266898
Alanine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-3-(p-chlorophenyl)-, DL-
CID 41416
2-{[(2-Chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}propanoic acid
CID 23645824
7-Chloro-5-iodo-4-(3-phenyl-ureido)-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
CID 15168575

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid (CID 2974789) is 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid is O=C(Nc1ccc(Cl)cc1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is ZNLCEPJDHBSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-12-6-8-13(9-7-12)18-16(22)19-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid?
2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 2974789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).