2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide

C17H13ClF2N4O — CID 53168947

IUPAC2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1n[nH]c(Cc2ccc(Cl)cc2)n1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H13ClF2N4O/c18-11-3-1-10(2-4-11)5-15-22-16(24-23-15)9-17(25)21-14-7-12(19)6-13(20)8-14/h1-4,6-8H,5,9H2,(H,21,25)(H,22,23,24)
InChIKeyQUVOQQMBWMRMAS-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.51
Rot. Bonds5

About 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide

2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 53168947) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID53168947
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1n[nH]c(Cc2ccc(Cl)cc2)n1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H13ClF2N4O/c18-11-3-1-10(2-4-11)5-15-22-16(24-23-15)9-17(25)21-14-7-12(19)6-13(20)8-14/h1-4,6-8H,5,9H2,(H,21,25)(H,22,23,24)
InChIKeyQUVOQQMBWMRMAS-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
CID 53168881
2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
CID 53168934
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168785
2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53168923
[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600627
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 43832908
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-(4-fluorophenyl)acetamide
CID 3013305
[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600715
N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168975
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(3,5-dichlorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3530182

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide (CID 53168947) is 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide is O=C(Cc1n[nH]c(Cc2ccc(Cl)cc2)n1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is QUVOQQMBWMRMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c18-11-3-1-10(2-4-11)5-15-22-16(24-23-15)9-17(25)21-14-7-12(19)6-13(20)8-14/h1-4,6-8H,5,9H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide?
2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 362.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 53168947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).