(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone

C18H17ClF2N2O — CID 16626260

IUPAC(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C18H17ClF2N2O/c19-14-11-16(21)15(20)10-13(14)18(24)23-9-5-4-8-17(23)22-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2/b22-17+
InChIKeyFFUPZZVAINSDLR-OQKWZONESA-N
MW350.80 g/mol
LogP4.34
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone

(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone (PubChem CID 16626260) has the molecular formula C18H17ClF2N2O and a molecular weight of 350.80 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone
PubChem CID16626260
Molecular FormulaC18H17ClF2N2O
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C18H17ClF2N2O/c19-14-11-16(21)15(20)10-13(14)18(24)23-9-5-4-8-17(23)22-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2/b22-17+
InChIKeyFFUPZZVAINSDLR-OQKWZONESA-N
XLogP4.34
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
CID 16626252
(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone
CID 16626285
2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone
CID 16626276
2-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51321233
(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 600139
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
4-[1-(2-cyclohexylimino-1-pyridinyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 46684707
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 55533497
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 95568951

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone (CID 16626260) is (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone is O=C(c1cc(F)c(F)cc1Cl)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone?
The InChIKey is FFUPZZVAINSDLR-OQKWZONESA-N. The full InChI is InChI=1S/C18H17ClF2N2O/c19-14-11-16(21)15(20)10-13(14)18(24)23-9-5-4-8-17(23)22-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2/b22-17+.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone?
(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone has a molecular weight of 350.80 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone is sourced from PubChem (CID 16626260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).