3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid

C14H10F2N2O3 — CID 6464794

IUPAC3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3/c15-9-4-5-12(11(16)7-9)18-14(21)17-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyLXONPBQHDWJKCY-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.31
Rot. Bonds3

About 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid

3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid (PubChem CID 6464794) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
PubChem CID6464794
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3/c15-9-4-5-12(11(16)7-9)18-14(21)17-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyLXONPBQHDWJKCY-UHFFFAOYSA-N
XLogP3.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4-difluorophenyl)carbamoylamino]benzoic 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

3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 67219449
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
4-[(4-bromophenyl)carbamoylamino]-3-fluorobenzoic acid
CID 63190194
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid (CID 6464794) is 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid?
The InChIKey is LXONPBQHDWJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-9-4-5-12(11(16)7-9)18-14(21)17-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid?
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid has a molecular weight of 292.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 6464794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).