N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide

C19H13ClN4O — CID 740259

IUPACN-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1
InChIInChI=1S/C19H13ClN4O/c20-14-7-4-8-16(11-14)24-22-17-10-9-15(12-18(17)23-24)21-19(25)13-5-2-1-3-6-13/h1-12H,(H,21,25)
InChIKeyLMEVILOVJMESAX-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.33
Rot. Bonds3

About N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide

N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide (PubChem CID 740259) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
PubChem CID740259
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1
InChIInChI=1S/C19H13ClN4O/c20-14-7-4-8-16(11-14)24-22-17-10-9-15(12-18(17)23-24)21-19(25)13-5-2-1-3-6-13/h1-12H,(H,21,25)
InChIKeyLMEVILOVJMESAX-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
CID 3117301
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
CID 1215874
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide (CID 740259) is N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide is O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide?
The InChIKey is LMEVILOVJMESAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-14-7-4-8-16(11-14)24-22-17-10-9-15(12-18(17)23-24)21-19(25)13-5-2-1-3-6-13/h1-12H,(H,21,25).
What are the key properties of N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide?
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide has a molecular weight of 348.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 740259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).