1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one

C24H22ClNO2 — CID 91805545

IUPAC1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H22ClNO2/c25-21-11-4-9-19(15-21)24(26-14-6-13-23(26)27)20-10-5-12-22(16-20)28-17-18-7-2-1-3-8-18/h1-5,7-12,15-16,24H,6,13-14,17H2
InChIKeyPYOHBMSWAKKGLA-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.63
Rot. Bonds6

About 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one

1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 91805545) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID91805545
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC Name1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H22ClNO2/c25-21-11-4-9-19(15-21)24(26-14-6-13-23(26)27)20-10-5-12-22(16-20)28-17-18-7-2-1-3-8-18/h1-5,7-12,15-16,24H,6,13-14,17H2
InChIKeyPYOHBMSWAKKGLA-UHFFFAOYSA-N
XLogP5.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-(4-chlorophenyl)-1-phenyl-2-phenylmethoxyethyl]pyrrolidin-2-one
CID 59551993
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574904
1-[phenyl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4595272
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(1S,2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methoxy]-1-phenylethyl]pyrrolidin-2-one
CID 59552066
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
N-[1-(3-chlorophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 22483302
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
1-[naphthalen-2-yl-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3644100
1-[(3-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4011460
1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3759921

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one (CID 91805545) is 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one is O=C1CCCN1C(c1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PYOHBMSWAKKGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO2/c25-21-11-4-9-19(15-21)24(26-14-6-13-23(26)27)20-10-5-12-22(16-20)28-17-18-7-2-1-3-8-18/h1-5,7-12,15-16,24H,6,13-14,17H2.
What are the key properties of 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one?
1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 391.90 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 91805545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).