N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide

C17H15FN4O — CID 53168675

IUPACN-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1F
InChIInChI=1S/C17H15FN4O/c1-11-7-8-13(9-14(11)18)19-16(23)10-15-20-17(22-21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeySDAQRXWGEQXZOX-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.10
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168675) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168675
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1F
InChIInChI=1S/C17H15FN4O/c1-11-7-8-13(9-14(11)18)19-16(23)10-15-20-17(22-21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeySDAQRXWGEQXZOX-UHFFFAOYSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)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

N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168735
1-(3-fluoro-4-methylphenyl)-3-[[2-(4-phenyl-1,3-thiazol-2-yl)acetyl]amino]thiourea
CID 8559731
N-(3-fluoro-4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135963869
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874560
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-(3,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110651460
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168675) is N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SDAQRXWGEQXZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-7-8-13(9-14(11)18)19-16(23)10-15-20-17(22-21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).