1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide

C14H15FN4O — CID 92572434

IUPAC1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCn1cncn1)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H15FN4O/c15-12-4-2-1-3-11(12)14(5-6-14)13(20)17-7-8-19-10-16-9-18-19/h1-4,9-10H,5-8H2,(H,17,20)
InChIKeyLQGORRSLACICOE-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.27
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 92572434) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID92572434
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCn1cncn1)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H15FN4O/c15-12-4-2-1-3-11(12)14(5-6-14)13(20)17-7-8-19-10-16-9-18-19/h1-4,9-10H,5-8H2,(H,17,20)
InChIKeyLQGORRSLACICOE-UHFFFAOYSA-N
XLogP1.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
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CID 110438309
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
CID 136563304
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
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N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide
CID 110607175
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 110437610

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide (CID 92572434) is 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCn1cncn1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LQGORRSLACICOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-12-4-2-1-3-11(12)14(5-6-14)13(20)17-7-8-19-10-16-9-18-19/h1-4,9-10H,5-8H2,(H,17,20).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92572434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).