2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid

C12H14ClFN2O3 — CID 62820934

IUPAC2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Nc1cccc(Cl)c1F)C(C)(C)C(=O)O
InChIInChI=1S/C12H14ClFN2O3/c1-12(2,10(17)18)16(3)11(19)15-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,19)(H,17,18)
InChIKeyODYZNHRGUWQGDH-UHFFFAOYSA-N
MW288.71 g/mol
LogP2.81
Rot. Bonds3

About 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62820934) has the molecular formula C12H14ClFN2O3 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62820934
Molecular FormulaC12H14ClFN2O3
Molecular Weight288.71 g/mol
Exact Mass288.07
IUPAC Name2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Nc1cccc(Cl)c1F)C(C)(C)C(=O)O
InChIInChI=1S/C12H14ClFN2O3/c1-12(2,10(17)18)16(3)11(19)15-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,19)(H,17,18)
InChIKeyODYZNHRGUWQGDH-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-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-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822338
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820218
2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62821454
3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72915964
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
(3-chloro-2-fluorophenyl)urea
CID 28969166
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 82819422
(2R)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927583
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62820934) is 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid is CN(C(=O)Nc1cccc(Cl)c1F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is ODYZNHRGUWQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3/c1-12(2,10(17)18)16(3)11(19)15-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 288.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).