2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid

C11H13ClN2O3 — CID 55153736

IUPAC2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc(C(N)=O)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17)
InChIKeyVDBAJZCQSMIQIM-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.71
Rot. Bonds4

About 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid

2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid (PubChem CID 55153736) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
PubChem CID55153736
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc(C(N)=O)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17)
InChIKeyVDBAJZCQSMIQIM-UHFFFAOYSA-N
XLogP1.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic 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-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
CID 66617902
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-[3-chloro-4-(trifluoromethoxy)anilino]-2-methylpropanoic acid
CID 171849059
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
2-(4-acetyl-3-fluoroanilino)-2-methylpropanoic acid
CID 58083478
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
1-(4-carbamoyl-3-chloroanilino)cyclobutane-1-carboxylic acid
CID 81165128
2-bromo-5-(2-carboxypropan-2-ylamino)benzoic acid
CID 121392515
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid (CID 55153736) is 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid is CC(C)(Nc1ccc(C(N)=O)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid?
The InChIKey is VDBAJZCQSMIQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17).
What are the key properties of 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid?
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid is sourced from PubChem (CID 55153736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).