1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide

C18H19FN2O — CID 110607175

IUPAC1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCc1cccnc1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O/c19-16-8-2-1-7-15(16)18(9-10-18)17(22)21-12-4-6-14-5-3-11-20-13-14/h1-3,5,7-8,11,13H,4,6,9-10,12H2,(H,21,22)
InChIKeyKNRZEKCIDGQVAF-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 110607175) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide
PubChem CID110607175
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCc1cccnc1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O/c19-16-8-2-1-7-15(16)18(9-10-18)17(22)21-12-4-6-14-5-3-11-20-13-14/h1-3,5,7-8,11,13H,4,6,9-10,12H2,(H,21,22)
InChIKeyKNRZEKCIDGQVAF-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
CID 110436859
N-[1-(2-fluorophenyl)cyclopropyl]-2-pyridin-3-ylacetamide
CID 110468072
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166425168
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide (CID 110607175) is 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide is O=C(NCCCc1cccnc1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is KNRZEKCIDGQVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-8-2-1-7-15(16)18(9-10-18)17(22)21-12-4-6-14-5-3-11-20-13-14/h1-3,5,7-8,11,13H,4,6,9-10,12H2,(H,21,22).
What are the key properties of 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110607175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).