1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C25H25FN2O3 — CID 58042744

IUPAC1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESO=C(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(CN2CCCC2)c(F)c1
InChIInChI=1S/C25H25FN2O3/c26-23-14-20(8-9-21(23)16-27-11-4-5-12-27)24(29)17-28-13-10-22(15-25(28)30)31-18-19-6-2-1-3-7-19/h1-3,6-10,13-15H,4-5,11-12,16-18H2
InChIKeyJWOHTBWCOVUNCP-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.05
Rot. Bonds8

About 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 58042744) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID58042744
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESO=C(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(CN2CCCC2)c(F)c1
InChIInChI=1S/C25H25FN2O3/c26-23-14-20(8-9-21(23)16-27-11-4-5-12-27)24(29)17-28-13-10-22(15-25(28)30)31-18-19-6-2-1-3-7-19/h1-3,6-10,13-15H,4-5,11-12,16-18H2
InChIKeyJWOHTBWCOVUNCP-UHFFFAOYSA-N
XLogP4.05
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 68892721
4-phenylmethoxy-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417334
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143850273
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
CID 82051816
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 58042744) is 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is O=C(Cn1ccc(OCc2ccccc2)cc1=O)c1ccc(CN2CCCC2)c(F)c1.
What is the InChIKey of 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is JWOHTBWCOVUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-23-14-20(8-9-21(23)16-27-11-4-5-12-27)24(29)17-28-13-10-22(15-25(28)30)31-18-19-6-2-1-3-7-19/h1-3,6-10,13-15H,4-5,11-12,16-18H2.
What are the key properties of 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 420.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 58042744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).