1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone

C19H19NO2 — CID 43926531

IUPAC1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)15-7-9-17(10-8-15)19(22)20-12-11-18(13-20)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3
InChIKeyAFEHVFARWNNNSI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.52
Rot. Bonds3

About 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone

1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone (PubChem CID 43926531) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
PubChem CID43926531
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)15-7-9-17(10-8-15)19(22)20-12-11-18(13-20)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3
InChIKeyAFEHVFARWNNNSI-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone
CID 71998180
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 15986673
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
1-[1-(4-acetylbenzoyl)pyrrolidin-3-yl]ethanone
CID 166872082
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
CID 140969221
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872305
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone (CID 43926531) is 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone?
The InChIKey is AFEHVFARWNNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(21)15-7-9-17(10-8-15)19(22)20-12-11-18(13-20)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3.
What are the key properties of 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone?
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone is sourced from PubChem (CID 43926531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).