2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid

C14H10F2N2O3 — CID 61189563

IUPAC2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyLFNXPCHIXQDUCN-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.31
Rot. Bonds3

About 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid

2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid (PubChem CID 61189563) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
PubChem CID61189563
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyLFNXPCHIXQDUCN-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 2-[(3,5-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

2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
2-[(4-bromo-3-methylphenyl)carbamoylamino]benzoic acid
CID 63548637
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
CID 10850874
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-(2,3,5-trifluoroanilino)benzoic acid
CID 62813738

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid (CID 61189563) is 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cc(F)cc(F)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid?
The InChIKey is LFNXPCHIXQDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid?
2-[(3,5-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 2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61189563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).