4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid

C15H12N4O3 — CID 855546

IUPAC4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12N4O3/c20-14(16-11-7-5-10(6-8-11)15(21)22)9-19-13-4-2-1-3-12(13)17-18-19/h1-8H,9H2,(H,16,20)(H,21,22)
InChIKeyHNIFUXDBOWNVGF-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.77
Rot. Bonds4

About 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid

4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid (PubChem CID 855546) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
PubChem CID855546
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12N4O3/c20-14(16-11-7-5-10(6-8-11)15(21)22)9-19-13-4-2-1-3-12(13)17-18-19/h1-8H,9H2,(H,16,20)(H,21,22)
InChIKeyHNIFUXDBOWNVGF-UHFFFAOYSA-N
XLogP1.77
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(benzotriazol-1-yl)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

methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
CID 848903
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)thiourea
CID 990282
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
2-(benzotriazol-1-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17452731
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid (CID 855546) is 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid is O=C(Cn1nnc2ccccc21)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid?
The InChIKey is HNIFUXDBOWNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-14(16-11-7-5-10(6-8-11)15(21)22)9-19-13-4-2-1-3-12(13)17-18-19/h1-8H,9H2,(H,16,20)(H,21,22).
What are the key properties of 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid?
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid has a molecular weight of 296.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 855546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).