3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide

C14H18ClFN2O2 — CID 166024018

IUPAC3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CCCC(Cl)C2F)ccc1=O
InChIInChI=1S/C14H18ClFN2O2/c1-2-18-8-9(6-7-12(18)19)17-14(20)10-4-3-5-11(15)13(10)16/h6-8,10-11,13H,2-5H2,1H3,(H,17,20)
InChIKeyWLPZNQBAHNDCJG-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.55
Rot. Bonds3

About 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide (PubChem CID 166024018) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide
PubChem CID166024018
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CCCC(Cl)C2F)ccc1=O
InChIInChI=1S/C14H18ClFN2O2/c1-2-18-8-9(6-7-12(18)19)17-14(20)10-4-3-5-11(15)13(10)16/h6-8,10-11,13H,2-5H2,1H3,(H,17,20)
InChIKeyWLPZNQBAHNDCJG-UHFFFAOYSA-N
XLogP2.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 153397940
(2E,5E)-2-(chloromethylidene)-N-(1-ethyl-6-oxo-3-pyridinyl)-5-(fluoromethylidene)cyclohexane-1-carboxamide
CID 153398038
3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024050
3-chloro-4-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024056
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorocyclohexane-1-carboxamide
CID 166024184
4-chloro-3-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024251
4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024263
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorocyclohexane-1-carboxamide
CID 166024353
N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexanecarboxamide
CID 47255041
cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 146323411
trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 146323412
1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen
CID 153397939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide?
The IUPAC name of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide (CID 166024018) is 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide is CCn1cc(NC(=O)C2CCCC(Cl)C2F)ccc1=O.
What is the InChIKey of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide?
The InChIKey is WLPZNQBAHNDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-18-8-9(6-7-12(18)19)17-14(20)10-4-3-5-11(15)13(10)16/h6-8,10-11,13H,2-5H2,1H3,(H,17,20).
What are the key properties of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide?
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide has a molecular weight of 300.76 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide is sourced from PubChem (CID 166024018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).