2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid

C12H15ClN2O3 — CID 91063152

IUPAC2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid
SMILESCC(Nc1ccc(Cl)cc1C(=O)N(C)C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7(12(17)18)14-10-5-4-8(13)6-9(10)11(16)15(2)3/h4-7,14H,1-3H3,(H,17,18)
InChIKeyUBRIQTQNPZSPTA-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid

2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid (PubChem CID 91063152) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid
PubChem CID91063152
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid
SMILESCC(Nc1ccc(Cl)cc1C(=O)N(C)C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7(12(17)18)14-10-5-4-8(13)6-9(10)11(16)15(2)3/h4-7,14H,1-3H3,(H,17,18)
InChIKeyUBRIQTQNPZSPTA-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic 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

(2S)-2-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 90988596
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168597106
2-(4-chloro-2-nitroanilino)propanoic acid
CID 43468856
2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
CID 107635072
2-(2-carbamothioyl-4-chloroanilino)propanamide
CID 62493509
5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83176856
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid (CID 91063152) is 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid is CC(Nc1ccc(Cl)cc1C(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid?
The InChIKey is UBRIQTQNPZSPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7(12(17)18)14-10-5-4-8(13)6-9(10)11(16)15(2)3/h4-7,14H,1-3H3,(H,17,18).
What are the key properties of 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid?
2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 91063152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).