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

C16H13FN4O — CID 53168666

IUPACN-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C16H13FN4O/c17-12-7-4-8-13(9-12)18-15(22)10-14-19-16(21-20-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21)
InChIKeyQZZDDQZBZZLLIW-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.79
Rot. Bonds4

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

N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168666) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168666
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C16H13FN4O/c17-12-7-4-8-13(9-12)18-15(22)10-14-19-16(21-20-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21)
InChIKeyQZZDDQZBZZLLIW-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 855888
N-Phenyl-2-(5-phenyl-2H-(1,2,4)triazol-3-ylsulfanyl)-acetamide
CID 684474
3-(5-Phenyl-4h-1,2,4-Triazol-3-Yl)aniline
CID 33779314
1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455298
N-[3-[3-[(2-chloro-6-fluorophenyl)methylamino]-1H-1,2,4-triazol-5-yl]phenyl]prop-2-enamide
CID 130429248
5-[(2-fluorophenyl)methyl]-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 135314480
N-[(3S)-6-fluoro-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]-5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 142416011
2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
CID 662703
N-(2-ethylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 856227
N-(2-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667324
N-(2,4-difluorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667330
N-(4-butylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7908505

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168666) is N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is QZZDDQZBZZLLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-7-4-8-13(9-12)18-15(22)10-14-19-16(21-20-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 296.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).