3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C19H21BrFNO2 — CID 11246390

IUPAC3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1CC1CCCCC1
InChIInChI=1S/C19H21BrFNO2/c20-18-17(24-13-15-6-8-16(21)9-7-15)10-11-22(19(18)23)12-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2
InChIKeyHPZZTJRXAGMYDR-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.91
Rot. Bonds5

About 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 11246390) has the molecular formula C19H21BrFNO2 and a molecular weight of 394.28 g/mol. Its IUPAC name is 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID11246390
Molecular FormulaC19H21BrFNO2
Molecular Weight394.28 g/mol
Exact Mass393.07
IUPAC Name3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1CC1CCCCC1
InChIInChI=1S/C19H21BrFNO2/c20-18-17(24-13-15-6-8-16(21)9-7-15)10-11-22(19(18)23)12-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2
InChIKeyHPZZTJRXAGMYDR-UHFFFAOYSA-N
XLogP4.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 11246390) is 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)cc2)ccn1CC1CCCCC1.
What is the InChIKey of 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is HPZZTJRXAGMYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO2/c20-18-17(24-13-15-6-8-16(21)9-7-15)10-11-22(19(18)23)12-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2.
What are the key properties of 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 394.28 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 11246390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).