(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone

C19H20F2N2O2 — CID 16626285

IUPAC(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)F)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-16-11-5-4-10-15(16)18(24)23-13-7-6-12-17(23)22-14-8-2-1-3-9-14/h4-7,10-14,19H,1-3,8-9H2/b22-17+
InChIKeyBCCPVUMTSZIWPC-OQKWZONESA-N
MW346.38 g/mol
LogP4.01
Rot. Bonds4

About (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone

(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 16626285) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone
PubChem CID16626285
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)F)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-16-11-5-4-10-15(16)18(24)23-13-7-6-12-17(23)22-14-8-2-1-3-9-14/h4-7,10-14,19H,1-3,8-9H2/b22-17+
InChIKeyBCCPVUMTSZIWPC-OQKWZONESA-N
XLogP4.01
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone
CID 16626260
(2-cyclohexylimino-4-methyl-1-pyridinyl)-(2-methoxyphenyl)methanone
CID 46517992
(2-cyclohexylimino-1-pyridinyl)-pyridin-2-ylmethanone
CID 16626228
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
(2-cyclohexylimino-1-pyridinyl)-[5-(cyclopropylmethoxy)pyrazin-2-yl]methanone
CID 166188653
4-[1-(2-cyclohexylimino-1-pyridinyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 46684707
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
[2-(difluoromethoxy)phenyl]-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55675936
[2-(difluoromethoxy)phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51929159
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone (CID 16626285) is (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone is O=C(c1ccccc1OC(F)F)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is BCCPVUMTSZIWPC-OQKWZONESA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-19(21)25-16-11-5-4-10-15(16)18(24)23-13-7-6-12-17(23)22-14-8-2-1-3-9-14/h4-7,10-14,19H,1-3,8-9H2/b22-17+.
What are the key properties of (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone?
(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 346.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 16626285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).