2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide

C22H19ClN4O — CID 156906974

IUPAC2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C22H19ClN4O/c1-16-9-11-19(12-10-16)26(14-17-5-4-6-18(23)13-17)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3
InChIKeyXEPQWAGFLLJHCF-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.63
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide

2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide (PubChem CID 156906974) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
PubChem CID156906974
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C22H19ClN4O/c1-16-9-11-19(12-10-16)26(14-17-5-4-6-18(23)13-17)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3
InChIKeyXEPQWAGFLLJHCF-UHFFFAOYSA-N
XLogP4.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide (CID 156906974) is 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide is Cc1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
The InChIKey is XEPQWAGFLLJHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-16-9-11-19(12-10-16)26(14-17-5-4-6-18(23)13-17)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 156906974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).