1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone

C19H21FN2O — CID 16626258

IUPAC1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H21FN2O/c20-17-11-5-4-8-15(17)14-19(23)22-13-7-6-12-18(22)21-16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2/b21-18+
InChIKeyJXIOBECXAPXYIP-DYTRJAOYSA-N
MW312.39 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone

1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone (PubChem CID 16626258) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone
PubChem CID16626258
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H21FN2O/c20-17-11-5-4-8-15(17)14-19(23)22-13-7-6-12-18(22)21-16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2/b21-18+
InChIKeyJXIOBECXAPXYIP-DYTRJAOYSA-N
XLogP3.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone (CID 16626258) is 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is JXIOBECXAPXYIP-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-11-5-4-8-15(17)14-19(23)22-13-7-6-12-18(22)21-16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2/b21-18+.
What are the key properties of 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone?
1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone has a molecular weight of 312.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 16626258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).