4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

C19H21Cl2NO2 — CID 67306359

IUPAC4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
SMILESO=c1cc(OCC2CCCCC2)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-16-7-6-15(18(21)10-16)12-22-9-8-17(11-19(22)23)24-13-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2
InChIKeyFMFBFFMXNSDHKQ-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.16
Rot. Bonds5

About 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one (PubChem CID 67306359) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
PubChem CID67306359
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
SMILESO=c1cc(OCC2CCCCC2)ccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-16-7-6-15(18(21)10-16)12-22-9-8-17(11-19(22)23)24-13-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2
InChIKeyFMFBFFMXNSDHKQ-UHFFFAOYSA-N
XLogP5.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one (CID 67306359) is 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one is O=c1cc(OCC2CCCCC2)ccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The InChIKey is FMFBFFMXNSDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c20-16-7-6-15(18(21)10-16)12-22-9-8-17(11-19(22)23)24-13-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2.
What are the key properties of 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one has a molecular weight of 366.29 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 67306359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).