(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C23H25ClFNO3 — CID 10273482

IUPAC(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(Cc3ccc(F)cc3Cl)C2)cc1OC1CCCC1
InChIInChI=1S/C23H25ClFNO3/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(25)12-20(16)24/h6-10,12,17,19H,2-5,11,13-14H2,1H3/t17-/m0/s1
InChIKeyNQRWJCXMEDAKDT-KRWDZBQOSA-N
MW417.91 g/mol
LogP5.33
Rot. Bonds6

About (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 10273482) has the molecular formula C23H25ClFNO3 and a molecular weight of 417.91 g/mol. Its IUPAC name is (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID10273482
Molecular FormulaC23H25ClFNO3
Molecular Weight417.91 g/mol
Exact Mass417.15
IUPAC Name(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(Cc3ccc(F)cc3Cl)C2)cc1OC1CCCC1
InChIInChI=1S/C23H25ClFNO3/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(25)12-20(16)24/h6-10,12,17,19H,2-5,11,13-14H2,1H3/t17-/m0/s1
InChIKeyNQRWJCXMEDAKDT-KRWDZBQOSA-N
XLogP5.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.91
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 10273482) is (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(Cc3ccc(F)cc3Cl)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is NQRWJCXMEDAKDT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25ClFNO3/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(25)12-20(16)24/h6-10,12,17,19H,2-5,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 417.91 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 10273482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).