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

C23H25F2NO3 — CID 10111656

IUPAC(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)cc1OC1CCCC1
InChIInChI=1S/C23H25F2NO3/c1-28-21-9-7-15(10-22(21)29-19-4-2-3-5-19)17-11-23(27)26(14-17)13-16-6-8-18(24)12-20(16)25/h6-10,12,17,19H,2-5,11,13-14H2,1H3/t17-/m1/s1
InChIKeyXLVHYQWLMAYSJS-QGZVFWFLSA-N
MW401.45 g/mol
LogP4.81
Rot. Bonds6

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

(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 10111656) has the molecular formula C23H25F2NO3 and a molecular weight of 401.45 g/mol. Its IUPAC name is (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
PubChem CID10111656
Molecular FormulaC23H25F2NO3
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)cc1OC1CCCC1
InChIInChI=1S/C23H25F2NO3/c1-28-21-9-7-15(10-22(21)29-19-4-2-3-5-19)17-11-23(27)26(14-17)13-16-6-8-18(24)12-20(16)25/h6-10,12,17,19H,2-5,11,13-14H2,1H3/t17-/m1/s1
InChIKeyXLVHYQWLMAYSJS-QGZVFWFLSA-N
XLogP4.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10273482
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10200965
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 10224810
N-[4-[[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 70067204
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one (CID 10111656) is (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one is COc1ccc([C@@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)cc1OC1CCCC1.
What is the InChIKey of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is XLVHYQWLMAYSJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25F2NO3/c1-28-21-9-7-15(10-22(21)29-19-4-2-3-5-19)17-11-23(27)26(14-17)13-16-6-8-18(24)12-20(16)25/h6-10,12,17,19H,2-5,11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 401.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 10111656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).