2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide

C17H16F2N2O2 — CID 75446987

IUPAC2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCn1ccc(=O)c(NC(=O)C2CC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O2/c1-2-21-6-5-16(22)15(9-21)20-17(23)12-8-11(12)10-3-4-13(18)14(19)7-10/h3-7,9,11-12H,2,8H2,1H3,(H,20,23)
InChIKeyBCDQZGNPMOEJES-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.89
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 75446987) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID75446987
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCn1ccc(=O)c(NC(=O)C2CC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O2/c1-2-21-6-5-16(22)15(9-21)20-17(23)12-8-11(12)10-3-4-13(18)14(19)7-10/h3-7,9,11-12H,2,8H2,1H3,(H,20,23)
InChIKeyBCDQZGNPMOEJES-UHFFFAOYSA-N
XLogP2.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide (CID 75446987) is 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide is CCn1ccc(=O)c(NC(=O)C2CC2c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is BCDQZGNPMOEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-2-21-6-5-16(22)15(9-21)20-17(23)12-8-11(12)10-3-4-13(18)14(19)7-10/h3-7,9,11-12H,2,8H2,1H3,(H,20,23).
What are the key properties of 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(1-ethyl-4-oxo-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75446987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).