(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone

C18H18F2N2O — CID 16626252

IUPAC(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C18H18F2N2O/c19-13-9-10-15(16(20)12-13)18(23)22-11-5-4-8-17(22)21-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2/b21-17+
InChIKeySAQIAEIZKUDLPH-HEHNFIMWSA-N
MW316.35 g/mol
LogP3.69
Rot. Bonds2

About (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone

(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone (PubChem CID 16626252) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
PubChem CID16626252
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C18H18F2N2O/c19-13-9-10-15(16(20)12-13)18(23)22-11-5-4-8-17(22)21-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2/b21-17+
InChIKeySAQIAEIZKUDLPH-HEHNFIMWSA-N
XLogP3.69
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone
CID 16626260
(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone
CID 16626285
(2-cyclohexylimino-4-methyl-1-pyridinyl)-(2-methoxyphenyl)methanone
CID 46517992
2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone
CID 16626276
(2-cyclohexylimino-1-pyridinyl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 18273861
2-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51321233
(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 43078094
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 55533497
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone (CID 16626252) is (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone?
The InChIKey is SAQIAEIZKUDLPH-HEHNFIMWSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-13-9-10-15(16(20)12-13)18(23)22-11-5-4-8-17(22)21-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2/b21-17+.
What are the key properties of (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone?
(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone has a molecular weight of 316.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 16626252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).