2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

C22H19ClN4O2 — CID 1047579

IUPAC2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O2/c1-14-11-20-21(26-27(25-20)17-7-9-18(29-2)10-8-17)13-19(14)24-22(28)12-15-3-5-16(23)6-4-15/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyRJTPGTHHGXRWQE-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 1047579) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
PubChem CID1047579
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O2/c1-14-11-20-21(26-27(25-20)17-7-9-18(29-2)10-8-17)13-19(14)24-22(28)12-15-3-5-16(23)6-4-15/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyRJTPGTHHGXRWQE-UHFFFAOYSA-N
XLogP4.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
CID 7831963
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-propionamide
CID 654352
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
1-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-3-(2-methyl-benzoyl)-thiourea
CID 1139460
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 1256763
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
CID 1372492
N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 806738
2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 1347677
N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395989
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-cyano-2-fluorobenzamide
CID 2235813

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (CID 1047579) is 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is COc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is RJTPGTHHGXRWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-11-20-21(26-27(25-20)17-7-9-18(29-2)10-8-17)13-19(14)24-22(28)12-15-3-5-16(23)6-4-15/h3-11,13H,12H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 1047579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).