2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid

C11H10ClF3N2O3 — CID 79797934

IUPAC2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(Nc1cc(Cl)ccc1C(N)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O3/c1-10(9(19)20,11(13,14)15)17-7-4-5(12)2-3-6(7)8(16)18/h2-4,17H,1H3,(H2,16,18)(H,19,20)
InChIKeySVTJYKJKVDPMMX-UHFFFAOYSA-N
MW310.66 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79797934) has the molecular formula C11H10ClF3N2O3 and a molecular weight of 310.66 g/mol. Its IUPAC name is 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79797934
Molecular FormulaC11H10ClF3N2O3
Molecular Weight310.66 g/mol
Exact Mass310.03
IUPAC Name2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(Nc1cc(Cl)ccc1C(N)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O3/c1-10(9(19)20,11(13,14)15)17-7-4-5(12)2-3-6(7)8(16)18/h2-4,17H,1H3,(H2,16,18)(H,19,20)
InChIKeySVTJYKJKVDPMMX-UHFFFAOYSA-N
XLogP2.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-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-[(5-chloro-2-fluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791707
2-[(2,4-dichlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791312
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
2-(2-chloro-4-cyanoanilino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799180
4-(2-carbamoyl-5-chloroanilino)-2-methylbutanoic acid
CID 80539385
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
1-(2-carbamoyl-5-chloroanilino)cycloheptane-1-carboxylic acid
CID 63082238
2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
CID 106523306
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2-[(4-chlorophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790760
2-(2-carbamothioyl-5-chloroanilino)acetamide
CID 63083530
3-(5-bromo-2-carbamoylanilino)-2,2,3-trimethylbutanoic acid
CID 114901066

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79797934) is 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(Nc1cc(Cl)ccc1C(N)=O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is SVTJYKJKVDPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3/c1-10(9(19)20,11(13,14)15)17-7-4-5(12)2-3-6(7)8(16)18/h2-4,17H,1H3,(H2,16,18)(H,19,20).
What are the key properties of 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 310.66 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-5-chloroanilino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79797934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).