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

C13H15FN4O — CID 51107569

IUPAC2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(NC(=O)Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN4O/c1-8(2)12-16-13(18-17-12)15-11(19)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyWMJPRMPAFUJISA-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.25
Rot. Bonds4

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

2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 51107569) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID51107569
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(NC(=O)Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN4O/c1-8(2)12-16-13(18-17-12)15-11(19)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyWMJPRMPAFUJISA-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 4247733
N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 32460731
N-(5-Phenyl-1H-1,2,4-triazol-3-yl)butanamide
CID 20974734
3-phenyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 17487156
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340663
3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340641
3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51107555
2-(2-Fluorophenyl)-1-[3-(5-methyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192164
N-({1-[2-(3-Fluorophenyl)ethyl]piperidin-4-YL}methyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-YL)propanamide
CID 72905447
1-{4-[(5-Ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}-2-(3-fluorophenyl)ethan-1-one
CID 91909431
2-methyl-N~1~-(5-phenyl-4H-1,2,4-triazol-3-yl)propanamide
CID 32460569

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 51107569) is 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is CC(C)c1nc(NC(=O)Cc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WMJPRMPAFUJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8(2)12-16-13(18-17-12)15-11(19)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 262.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 51107569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).