4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile

C25H22N2O2 — CID 71901975

IUPAC4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OC(C(=O)N3CCCC3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22N2O2/c26-18-19-8-10-20(11-9-19)21-12-14-23(15-13-21)29-24(22-6-2-1-3-7-22)25(28)27-16-4-5-17-27/h1-3,6-15,24H,4-5,16-17H2
InChIKeyKIZYBKLRYPKBQO-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.97
Rot. Bonds5

About 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile

4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile (PubChem CID 71901975) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
PubChem CID71901975
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OC(C(=O)N3CCCC3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22N2O2/c26-18-19-8-10-20(11-9-19)21-12-14-23(15-13-21)29-24(22-6-2-1-3-7-22)25(28)27-16-4-5-17-27/h1-3,6-15,24H,4-5,16-17H2
InChIKeyKIZYBKLRYPKBQO-UHFFFAOYSA-N
XLogP4.97
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
3-methyl-2-[4-(2-phenoxy-2-phenylacetyl)piperazin-1-yl]butanenitrile
CID 56532537
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 9012640
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
CID 138992541
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
The IUPAC name of 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile (CID 71901975) is 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OC(C(=O)N3CCCC3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
The InChIKey is KIZYBKLRYPKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c26-18-19-8-10-20(11-9-19)21-12-14-23(15-13-21)29-24(22-6-2-1-3-7-22)25(28)27-16-4-5-17-27/h1-3,6-15,24H,4-5,16-17H2.
What are the key properties of 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile?
4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile has a molecular weight of 382.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile is sourced from PubChem (CID 71901975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).