2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide

C20H14BrClN4O — CID 1278555

IUPAC2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Br)cc3n2)cc1
InChIInChI=1S/C20H14BrClN4O/c1-12-6-8-13(9-7-12)26-24-18-10-16(22)17(11-19(18)25-26)23-20(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,27)
InChIKeyZZEVPVLPYSTXRY-UHFFFAOYSA-N
MW441.72 g/mol
LogP5.40
Rot. Bonds3

About 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide

2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 1278555) has the molecular formula C20H14BrClN4O and a molecular weight of 441.72 g/mol. Its IUPAC name is 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
PubChem CID1278555
Molecular FormulaC20H14BrClN4O
Molecular Weight441.72 g/mol
Exact Mass440.00
IUPAC Name2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Br)cc3n2)cc1
InChIInChI=1S/C20H14BrClN4O/c1-12-6-8-13(9-7-12)26-24-18-10-16(22)17(11-19(18)25-26)23-20(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,27)
InChIKeyZZEVPVLPYSTXRY-UHFFFAOYSA-N
XLogP5.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.72
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
CID 1397277
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545
2-iodo-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1370817
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
CID 1336482
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
2-bromo-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 1336213
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077195
N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1016675
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide (CID 1278555) is 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide is Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Br)cc3n2)cc1.
What is the InChIKey of 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is ZZEVPVLPYSTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN4O/c1-12-6-8-13(9-7-12)26-24-18-10-16(22)17(11-19(18)25-26)23-20(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,27).
What are the key properties of 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 441.72 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 1278555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).