4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one

C20H21BrFNO3 — CID 58360709

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
SMILESCc1c(Cc2ccc(Br)cc2F)c(C(=O)COCC2CC2)cn(C)c1=O
InChIInChI=1S/C20H21BrFNO3/c1-12-16(7-14-5-6-15(21)8-18(14)22)17(9-23(2)20(12)25)19(24)11-26-10-13-3-4-13/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3
InChIKeyVMGHEKMUIHZNIV-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.80
Rot. Bonds7

About 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one

4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one (PubChem CID 58360709) has the molecular formula C20H21BrFNO3 and a molecular weight of 422.29 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
PubChem CID58360709
Molecular FormulaC20H21BrFNO3
Molecular Weight422.29 g/mol
Exact Mass421.07
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
SMILESCc1c(Cc2ccc(Br)cc2F)c(C(=O)COCC2CC2)cn(C)c1=O
InChIInChI=1S/C20H21BrFNO3/c1-12-16(7-14-5-6-15(21)8-18(14)22)17(9-23(2)20(12)25)19(24)11-26-10-13-3-4-13/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3
InChIKeyVMGHEKMUIHZNIV-UHFFFAOYSA-N
XLogP3.80
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-3-fluoro-1-(2-hydroxyethyl)pyridin-2-one
CID 58360738
4-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 58259958
4-[(4-bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-3-methylpyridin-2-one
CID 58360705
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
4-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-fluoro-5-(2-methoxyacetyl)pyridin-2-one
CID 58360770
4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxylic acid
CID 58360803
4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
CID 58360840
1-[6-[(4-bromo-2-methylphenyl)methyl]-7-fluoro-3-(3-piperidin-1-ylpropyl)benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324272
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
1-[3-[2-(benzenesulfonyl)ethyl]-6-[(4-bromo-2-methylphenyl)methyl]-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324338
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
4-[(4-bromo-2-fluorophenyl)methyl]-3-fluoro-5-(2-propoxyacetyl)-1-(pyrazin-2-ylmethyl)pyridin-2-one
CID 58360852

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one (CID 58360709) is 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one is Cc1c(Cc2ccc(Br)cc2F)c(C(=O)COCC2CC2)cn(C)c1=O.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one?
The InChIKey is VMGHEKMUIHZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFNO3/c1-12-16(7-14-5-6-15(21)8-18(14)22)17(9-23(2)20(12)25)19(24)11-26-10-13-3-4-13/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3.
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one?
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one has a molecular weight of 422.29 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 58360709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).