(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C22H25FN2O3 — CID 10407678

IUPAC(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cc(N)cc(F)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C22H25FN2O3/c1-27-20-7-6-14(8-21(20)28-19-4-2-3-5-19)15-9-22(26)25(13-15)18-11-16(23)10-17(24)12-18/h6-8,10-12,15,19H,2-5,9,13,24H2,1H3/t15-/m0/s1
InChIKeyNKPGDFZEVDUVMO-HNNXBMFYSA-N
MW384.45 g/mol
LogP4.26
Rot. Bonds5

About (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 10407678) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID10407678
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cc(N)cc(F)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C22H25FN2O3/c1-27-20-7-6-14(8-21(20)28-19-4-2-3-5-19)15-9-22(26)25(13-15)18-11-16(23)10-17(24)12-18/h6-8,10-12,15,19H,2-5,9,13,24H2,1H3/t15-/m0/s1
InChIKeyNKPGDFZEVDUVMO-HNNXBMFYSA-N
XLogP4.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 10407678) is (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3cc(N)cc(F)c3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is NKPGDFZEVDUVMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-27-20-7-6-14(8-21(20)28-19-4-2-3-5-19)15-9-22(26)25(13-15)18-11-16(23)10-17(24)12-18/h6-8,10-12,15,19H,2-5,9,13,24H2,1H3/t15-/m0/s1.
What are the key properties of (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 384.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 10407678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).