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

C19H13BrN4O — CID 3116199

IUPAC4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)cc1
InChIInChI=1S/C19H13BrN4O/c20-14-8-6-13(7-9-14)19(25)21-15-10-11-17-18(12-15)23-24(22-17)16-4-2-1-3-5-16/h1-12H,(H,21,25)
InChIKeyOHEVHZYFGGGHJE-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide

4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide (PubChem CID 3116199) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
PubChem CID3116199
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)cc1
InChIInChI=1S/C19H13BrN4O/c20-14-8-6-13(7-9-14)19(25)21-15-10-11-17-18(12-15)23-24(22-17)16-4-2-1-3-5-16/h1-12H,(H,21,25)
InChIKeyOHEVHZYFGGGHJE-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

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Related Compounds

N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
CID 1215874
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
4-bromo-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 1341445
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide (CID 3116199) is 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
The InChIKey is OHEVHZYFGGGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-14-8-6-13(7-9-14)19(25)21-15-10-11-17-18(12-15)23-24(22-17)16-4-2-1-3-5-16/h1-12H,(H,21,25).
What are the key properties of 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide?
4-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 4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 3116199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).