1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone

C19H18FNO3 — CID 118783579

IUPAC1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1
InChIInChI=1S/C19H18FNO3/c1-12(22)15-6-7-18(20)17(10-15)13-2-4-14(5-3-13)19(24)21-9-8-16(23)11-21/h2-7,10,16,23H,8-9,11H2,1H3/t16-/m1/s1
InChIKeyQOKRDKGXRBVYOT-MRXNPFEDSA-N
MW327.36 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone

1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone (PubChem CID 118783579) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
PubChem CID118783579
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1
InChIInChI=1S/C19H18FNO3/c1-12(22)15-6-7-18(20)17(10-15)13-2-4-14(5-3-13)19(24)21-9-8-16(23)11-21/h2-7,10,16,23H,8-9,11H2,1H3/t16-/m1/s1
InChIKeyQOKRDKGXRBVYOT-MRXNPFEDSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluoro-3-methyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269856
3-(4-Fluoro-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269859
3-(4-Acetyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269901
[4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]-2-methylphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 137645378
US10214537, Example 153
CID 132220333
(3S)-1-Benzoylpyrrolidin-3-OL
CID 58357553
N,N-diethyl-4-[oxo-(2,4,6-trimethylphenyl)methyl]benzamide
CID 869554
(3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746346
[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 24791376
N-(p-octylbenzoyl)-piperidin-4-ol
CID 72735810
(4-Dodecylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 72735811
[4-[2-(3-Fluorophenyl)ethynyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 57575269

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone (CID 118783579) is 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone is CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1.
What is the InChIKey of 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
The InChIKey is QOKRDKGXRBVYOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12(22)15-6-7-18(20)17(10-15)13-2-4-14(5-3-13)19(24)21-9-8-16(23)11-21/h2-7,10,16,23H,8-9,11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone has a molecular weight of 327.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 118783579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).