N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide

C21H17ClN4O — CID 1397277

IUPACN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(C)c1
InChIInChI=1S/C21H17ClN4O/c1-13-8-9-16(14(2)10-13)21(27)23-18-12-20-19(11-17(18)22)24-26(25-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)
InChIKeyUEFCRVZWEFAWHT-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.94
Rot. Bonds3

About N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide

N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide (PubChem CID 1397277) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
PubChem CID1397277
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(C)c1
InChIInChI=1S/C21H17ClN4O/c1-13-8-9-16(14(2)10-13)21(27)23-18-12-20-19(11-17(18)22)24-26(25-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)
InChIKeyUEFCRVZWEFAWHT-UHFFFAOYSA-N
XLogP4.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide 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

2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1278555
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-methyl-3-nitrobenzamide
CID 4502272
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-nitrobenzamide
CID 4502104
2,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 3470943
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide
CID 2067619
N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-iodobenzamide
CID 17316941
2-iodo-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1370817
2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 1292982
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
CID 1336482

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide (CID 1397277) is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide?
The InChIKey is UEFCRVZWEFAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-8-9-16(14(2)10-13)21(27)23-18-12-20-19(11-17(18)22)24-26(25-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide?
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide has a molecular weight of 376.85 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 1397277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).