2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C13H15FN4O — CID 56787077

IUPAC2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c1-13(2,9-3-5-10(14)6-4-9)12(19)15-7-11-16-8-17-18-11/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyYAMOZOQNKBIEPE-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 56787077) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID56787077
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c1-13(2,9-3-5-10(14)6-4-9)12(19)15-7-11-16-8-17-18-11/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyYAMOZOQNKBIEPE-UHFFFAOYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 56787077) is 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(C)(C(=O)NCc1ncn[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is YAMOZOQNKBIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-13(2,9-3-5-10(14)6-4-9)12(19)15-7-11-16-8-17-18-11/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 262.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 56787077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).