2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide

C21H17ClN4O2 — CID 1249631

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C21H17ClN4O2/c1-14-6-11-20(28-13-21(27)23-16-9-7-15(22)8-10-16)19(12-14)26-24-17-4-2-3-5-18(17)25-26/h2-12H,13H2,1H3,(H,23,27)
InChIKeyILOVXTYBYWSMBS-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.40
Rot. Bonds5

About 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 1249631) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID1249631
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C21H17ClN4O2/c1-14-6-11-20(28-13-21(27)23-16-9-7-15(22)8-10-16)19(12-14)26-24-17-4-2-3-5-18(17)25-26/h2-12H,13H2,1H3,(H,23,27)
InChIKeyILOVXTYBYWSMBS-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1109840
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 2115266
N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
CID 7831963
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 2101805
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 1341269
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1111951
2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 1347677
2-(4-methylphenoxy)-N-(6-methyl-2-phenyl-2H-benzotriazol-5-yl)acetamide
CID 7333473
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
CID 16000412
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16566336
2-(2-chlorophenoxy)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 1221611
2-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 1283006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide (CID 1249631) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide?
The InChIKey is ILOVXTYBYWSMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-6-11-20(28-13-21(27)23-16-9-7-15(22)8-10-16)19(12-14)26-24-17-4-2-3-5-18(17)25-26/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 392.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 1249631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).