N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C16H19FN4O2 — CID 75518156

IUPACN-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)N(c2ccc(F)cc2)C2CCCC2)c1=O
InChIInChI=1S/C16H19FN4O2/c1-19-11-18-20(16(19)23)10-15(22)21(13-4-2-3-5-13)14-8-6-12(17)7-9-14/h6-9,11,13H,2-5,10H2,1H3
InChIKeyLFFMWBXIJIHBKS-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.70
Rot. Bonds4

About N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 75518156) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID75518156
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)N(c2ccc(F)cc2)C2CCCC2)c1=O
InChIInChI=1S/C16H19FN4O2/c1-19-11-18-20(16(19)23)10-15(22)21(13-4-2-3-5-13)14-8-6-12(17)7-9-14/h6-9,11,13H,2-5,10H2,1H3
InChIKeyLFFMWBXIJIHBKS-UHFFFAOYSA-N
XLogP1.70
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 75518156) is N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)N(c2ccc(F)cc2)C2CCCC2)c1=O.
What is the InChIKey of N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is LFFMWBXIJIHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-19-11-18-20(16(19)23)10-15(22)21(13-4-2-3-5-13)14-8-6-12(17)7-9-14/h6-9,11,13H,2-5,10H2,1H3.
What are the key properties of N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 75518156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).