2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide

C21H18ClN5O — CID 156907123

IUPAC2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide
SMILESCNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN5O/c1-23-16-9-11-17(12-10-16)27(18-6-4-5-15(22)13-18)21(28)14-26-20-8-3-2-7-19(20)24-25-26/h2-13,23H,14H2,1H3
InChIKeyNZEBZGMXAYXWMP-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.49
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide

2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide (PubChem CID 156907123) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide
PubChem CID156907123
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide
SMILESCNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN5O/c1-23-16-9-11-17(12-10-16)27(18-6-4-5-15(22)13-18)21(28)14-26-20-8-3-2-7-19(20)24-25-26/h2-13,23H,14H2,1H3
InChIKeyNZEBZGMXAYXWMP-UHFFFAOYSA-N
XLogP4.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide (CID 156907123) is 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide is CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide?
The InChIKey is NZEBZGMXAYXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-23-16-9-11-17(12-10-16)27(18-6-4-5-15(22)13-18)21(28)14-26-20-8-3-2-7-19(20)24-25-26/h2-13,23H,14H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide has a molecular weight of 391.86 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)-N-[4-(methylamino)phenyl]acetamide is sourced from PubChem (CID 156907123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).