2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide

C17H14ClFN4O2 — CID 167967578

IUPAC2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1-c1cn(C(C(N)=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C17H14ClFN4O2/c1-25-15-7-4-11(18)8-13(15)14-9-23(22-21-14)16(17(20)24)10-2-5-12(19)6-3-10/h2-9,16H,1H3,(H2,20,24)
InChIKeyLIUCEPJVAIOQTJ-UHFFFAOYSA-N
MW360.78 g/mol
LogP2.82
Rot. Bonds5

About 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide

2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 167967578) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide
PubChem CID167967578
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1-c1cn(C(C(N)=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C17H14ClFN4O2/c1-25-15-7-4-11(18)8-13(15)14-9-23(22-21-14)16(17(20)24)10-2-5-12(19)6-3-10/h2-9,16H,1H3,(H2,20,24)
InChIKeyLIUCEPJVAIOQTJ-UHFFFAOYSA-N
XLogP2.82
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)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

[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 41332901
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
(2R)-1-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466074
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
2-(5-chloro-2-methoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 82356161
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione
CID 167840047
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide (CID 167967578) is 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide is COc1ccc(Cl)cc1-c1cn(C(C(N)=O)c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is LIUCEPJVAIOQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-25-15-7-4-11(18)8-13(15)14-9-23(22-21-14)16(17(20)24)10-2-5-12(19)6-3-10/h2-9,16H,1H3,(H2,20,24).
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide?
2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 360.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 167967578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).