2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C15H10ClF3N4O — CID 1132576

IUPAC2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H10ClF3N4O/c16-10-6-5-9(15(17,18)19)7-12(10)20-14(24)8-23-13-4-2-1-3-11(13)21-22-23/h1-7H,8H2,(H,20,24)
InChIKeyATUBAHLGUIKXBC-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.74
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1132576) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1132576
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H10ClF3N4O/c16-10-6-5-9(15(17,18)19)7-12(10)20-14(24)8-23-13-4-2-1-3-11(13)21-22-23/h1-7H,8H2,(H,20,24)
InChIKeyATUBAHLGUIKXBC-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)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-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 1132576) is 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ATUBAHLGUIKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-10-6-5-9(15(17,18)19)7-12(10)20-14(24)8-23-13-4-2-1-3-11(13)21-22-23/h1-7H,8H2,(H,20,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 354.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1132576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).