4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid

C11H10F2N2O4 — CID 54868061

IUPAC4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
SMILESNC(=O)c1cc(NC(=O)CCC(=O)O)c(F)cc1F
InChIInChI=1S/C11H10F2N2O4/c12-6-4-7(13)8(3-5(6)11(14)19)15-9(16)1-2-10(17)18/h3-4H,1-2H2,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyBEPOSRPFOFCXCV-UHFFFAOYSA-N
MW272.21 g/mol
LogP0.87
Rot. Bonds5

About 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid

4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid (PubChem CID 54868061) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
PubChem CID54868061
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
SMILESNC(=O)c1cc(NC(=O)CCC(=O)O)c(F)cc1F
InChIInChI=1S/C11H10F2N2O4/c12-6-4-7(13)8(3-5(6)11(14)19)15-9(16)1-2-10(17)18/h3-4H,1-2H2,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyBEPOSRPFOFCXCV-UHFFFAOYSA-N
XLogP0.87
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic 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

5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
3-amino-4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 64897236
5-(6-aminohexanoylamino)-2,4-difluorobenzoic acid
CID 43696510
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
CID 79851357
5-(4-chlorobutanoylamino)-2,4-difluorobenzoic acid
CID 55203672
2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
CID 60849658
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678

Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid (CID 54868061) is 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid is NC(=O)c1cc(NC(=O)CCC(=O)O)c(F)cc1F.
What is the InChIKey of 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid?
The InChIKey is BEPOSRPFOFCXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-6-4-7(13)8(3-5(6)11(14)19)15-9(16)1-2-10(17)18/h3-4H,1-2H2,(H2,14,19)(H,15,16)(H,17,18).
What are the key properties of 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid?
4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid has a molecular weight of 272.21 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid is sourced from PubChem (CID 54868061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).