3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide

C14H16Cl2F2N2O2 — CID 166024050

IUPAC3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1CCC(Cl)C(Cl)C1
InChIInChI=1S/C14H16Cl2F2N2O2/c15-10-2-1-8(5-11(10)16)13(21)19-9-6-12(18)14(22)20(7-9)4-3-17/h6-8,10-11H,1-5H2,(H,19,21)
InChIKeyPKLTYTHQBDKKGL-UHFFFAOYSA-N
MW353.20 g/mol
LogP2.91
Rot. Bonds4

About 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide

3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 166024050) has the molecular formula C14H16Cl2F2N2O2 and a molecular weight of 353.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID166024050
Molecular FormulaC14H16Cl2F2N2O2
Molecular Weight353.20 g/mol
Exact Mass352.06
IUPAC Name3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1CCC(Cl)C(Cl)C1
InChIInChI=1S/C14H16Cl2F2N2O2/c15-10-2-1-8(5-11(10)16)13(21)19-9-6-12(18)14(22)20(7-9)4-3-17/h6-8,10-11H,1-5H2,(H,19,21)
InChIKeyPKLTYTHQBDKKGL-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide (CID 166024050) is 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)C1CCC(Cl)C(Cl)C1.
What is the InChIKey of 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is PKLTYTHQBDKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F2N2O2/c15-10-2-1-8(5-11(10)16)13(21)19-9-6-12(18)14(22)20(7-9)4-3-17/h6-8,10-11H,1-5H2,(H,19,21).
What are the key properties of 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 353.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166024050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).