2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid

C15H13FN2O3 — CID 10850874

IUPAC2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
SMILESO=C(CNc1cccc(F)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c16-10-4-3-5-11(8-10)17-9-14(19)18-13-7-2-1-6-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChIKeyIBJSWUUJWXKQIG-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.57
Rot. Bonds5

About 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid

2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid (PubChem CID 10850874) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
PubChem CID10850874
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
SMILESO=C(CNc1cccc(F)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c16-10-4-3-5-11(8-10)17-9-14(19)18-13-7-2-1-6-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChIKeyIBJSWUUJWXKQIG-UHFFFAOYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3-fluoroanilino)acetyl]amino]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-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
2-(3-fluoroanilino)-N-(2-iodophenyl)acetamide
CID 26506350
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
CID 71835143
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
CID 109042084
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-[[2-[3-chloro-4-(3-fluoro-2-oxopropyl)anilino]acetyl]amino]benzoic acid
CID 174556616
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
CID 51051496

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid (CID 10850874) is 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid is O=C(CNc1cccc(F)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid?
The InChIKey is IBJSWUUJWXKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-4-3-5-11(8-10)17-9-14(19)18-13-7-2-1-6-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid?
2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 10850874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).