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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).