2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide

C21H17ClN4O — CID 15991128

IUPAC2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O/c1-14-11-19-20(25-26(24-19)17-5-3-2-4-6-17)13-18(14)23-21(27)12-15-7-9-16(22)10-8-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyQDOLYQOBVREOEV-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide

2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 15991128) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
PubChem CID15991128
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O/c1-14-11-19-20(25-26(24-19)17-5-3-2-4-6-17)13-18(14)23-21(27)12-15-7-9-16(22)10-8-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyQDOLYQOBVREOEV-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide
CID 1372049
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]butanamide
CID 806728
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 952244
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-2-fluorobenzamide
CID 1263671
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 1348154
N-[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]naphthalene-1-carboxamide
CID 3525463
N-{2-[4-(diethylamino)-2-methylphenyl]-6-methyl-2H-benzotriazol-5-yl}-2-methylbenzamide
CID 4221193

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide (CID 15991128) is 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide is Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is QDOLYQOBVREOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-14-11-19-20(25-26(24-19)17-5-3-2-4-6-17)13-18(14)23-21(27)12-15-7-9-16(22)10-8-15/h2-11,13H,12H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide has a molecular weight of 376.85 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 15991128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).