2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid

C16H14ClFN2O3 — CID 4551289

IUPAC2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H14ClFN2O3/c17-12-9-11(6-7-13(12)18)19-16(23)20-14(15(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,21,22)(H2,19,20,23)
InChIKeyRCHBAAPWFJMJOM-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.30
Rot. Bonds5

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

2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 4551289) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID4551289
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H14ClFN2O3/c17-12-9-11(6-7-13(12)18)19-16(23)20-14(15(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,21,22)(H2,19,20,23)
InChIKeyRCHBAAPWFJMJOM-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dichlorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4032418
2-[(3,5-difluoro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 142875212
(2S)-2-[[2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 27154407
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 90386865
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
3-[(1-carboxy-2-phenylethyl)carbamoylamino]benzoic acid
CID 3763107
ethyl 2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate;ethyl 2-[(3-fluoro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 158489629
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3810031

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid (CID 4551289) is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid is O=C(Nc1ccc(F)c(Cl)c1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is RCHBAAPWFJMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-12-9-11(6-7-13(12)18)19-16(23)20-14(15(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid?
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 336.75 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 4551289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).