(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C23H26ClNO3 — CID 10200965

IUPAC(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3cccc(Cl)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H26ClNO3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)14-16-5-4-6-19(24)11-16/h4-6,9-12,18,20H,2-3,7-8,13-15H2,1H3/t18-/m1/s1
InChIKeyUMOBOWNQDJMNOI-GOSISDBHSA-N
MW399.92 g/mol
LogP5.19
Rot. Bonds6

About (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 10200965) has the molecular formula C23H26ClNO3 and a molecular weight of 399.92 g/mol. Its IUPAC name is (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID10200965
Molecular FormulaC23H26ClNO3
Molecular Weight399.92 g/mol
Exact Mass399.16
IUPAC Name(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3cccc(Cl)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H26ClNO3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)14-16-5-4-6-19(24)11-16/h4-6,9-12,18,20H,2-3,7-8,13-15H2,1H3/t18-/m1/s1
InChIKeyUMOBOWNQDJMNOI-GOSISDBHSA-N
XLogP5.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 10224810
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
N-[4-[[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 70067204
(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10273482
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 10111656
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(bromomethyl)-1-cyclopentyloxy-2-methoxybenzene;4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 162092227
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 10200965) is (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@@H]2CC(=O)N(Cc3cccc(Cl)c3)C2)cc1OC1CCCC1.
What is the InChIKey of (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is UMOBOWNQDJMNOI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26ClNO3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)14-16-5-4-6-19(24)11-16/h4-6,9-12,18,20H,2-3,7-8,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 399.92 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 10200965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).