2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide

C19H13BrN4O — CID 17219663

IUPAC2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1Br
InChIInChI=1S/C19H13BrN4O/c20-16-9-5-4-8-15(16)19(25)21-13-10-11-17-18(12-13)23-24(22-17)14-6-2-1-3-7-14/h1-12H,(H,21,25)
InChIKeyZIJUFHIWGGXWIA-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.44
Rot. Bonds3

About 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide

2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide (PubChem CID 17219663) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
PubChem CID17219663
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1Br
InChIInChI=1S/C19H13BrN4O/c20-16-9-5-4-8-15(16)19(25)21-13-10-11-17-18(12-13)23-24(22-17)14-6-2-1-3-7-14/h1-12H,(H,21,25)
InChIKeyZIJUFHIWGGXWIA-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide 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

N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
CID 17220107
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
CID 3117301
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-iodo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220026

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide (CID 17219663) is 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
The InChIKey is ZIJUFHIWGGXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-16-9-5-4-8-15(16)19(25)21-13-10-11-17-18(12-13)23-24(22-17)14-6-2-1-3-7-14/h1-12H,(H,21,25).
What are the key properties of 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide has a molecular weight of 393.24 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 17219663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).