1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone

C23H24FNO3 — CID 58055354

IUPAC1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
SMILESO=C(CO)C1CCc2ccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)cc2C1
InChIInChI=1S/C23H24FNO3/c24-21-8-7-17(13-20(21)23(28)25-9-1-2-10-25)16-5-3-15-4-6-18(22(27)14-26)12-19(15)11-16/h3,5,7-8,11,13,18,26H,1-2,4,6,9-10,12,14H2
InChIKeyVGHSHNGQMVLHNR-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.39
Rot. Bonds4

About 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone

1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone (PubChem CID 58055354) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
PubChem CID58055354
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
SMILESO=C(CO)C1CCc2ccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)cc2C1
InChIInChI=1S/C23H24FNO3/c24-21-8-7-17(13-20(21)23(28)25-9-1-2-10-25)16-5-3-15-4-6-18(22(27)14-26)12-19(15)11-16/h3,5,7-8,11,13,18,26H,1-2,4,6,9-10,12,14H2
InChIKeyVGHSHNGQMVLHNR-UHFFFAOYSA-N
XLogP3.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone with MolForge

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Related Compounds

(3S*,4S*)-1-(4-fluorobenzoyl)-4-(2-naphthyl)piperidin-3-ol
CID 56700784
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 66262203
1-(6-fluoro-4'-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}biphenyl-3-yl)ethanone
CID 118783579
(3aR*,5R*,6S*,7aS*)-2-[(4'-fluoro-2'-methylbiphenyl-3-yl)carbonyl]octahydro-1H-isoindole-5,6-diol
CID 121501892
4'-fluoro-N-{[1-(hydroxymethyl)cyclopentyl]methyl}-N,2'-dimethylbiphenyl-3-carboxamide
CID 121508892
6-(3-benzyl-4-hydroxypyrrolidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 171359865
3-[2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenyl]propanoic Acid
CID 11654430
[3-(1,4-Dihydroxybutyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 18723488
1-(1-naphthoyl)-3-(RS)-(4-(4-fluorophenyl)piperidinylmethyl)-4-(SR)-hydroxymethylpyrrolidine
CID 18723500
N-[2-(3,4-Difluorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide
CID 22452632
3-cyano-N-[2-(3,4-difluorophenyl)-4-hydroxybutyl]-N-methylnaphthalene-1-carboxamide
CID 22622295
2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide
CID 58055166

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone (CID 58055354) is 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone is O=C(CO)C1CCc2ccc(-c3ccc(F)c(C(=O)N4CCCC4)c3)cc2C1.
What is the InChIKey of 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
The InChIKey is VGHSHNGQMVLHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c24-21-8-7-17(13-20(21)23(28)25-9-1-2-10-25)16-5-3-15-4-6-18(22(27)14-26)12-19(15)11-16/h3,5,7-8,11,13,18,26H,1-2,4,6,9-10,12,14H2.
What are the key properties of 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone has a molecular weight of 381.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 58055354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).