(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide

C20H21FN2O2 — CID 95056114

IUPAC(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-14-2-4-15(5-3-14)10-12-22-19(24)18-11-13-23(20(18)25)17-8-6-16(21)7-9-17/h2-9,18H,10-13H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyIWSDILAAYQBYKY-GOSISDBHSA-N
MW340.40 g/mol
LogP2.85
Rot. Bonds5

About (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 95056114) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID95056114
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-14-2-4-15(5-3-14)10-12-22-19(24)18-11-13-23(20(18)25)17-8-6-16(21)7-9-17/h2-9,18H,10-13H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyIWSDILAAYQBYKY-GOSISDBHSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797771
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 20964283
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797683
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797734
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(2-fluoro-5-methylphenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42853827
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60566031
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94079870

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide (CID 95056114) is (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide is Cc1ccc(CCNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is IWSDILAAYQBYKY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-2-4-15(5-3-14)10-12-22-19(24)18-11-13-23(20(18)25)17-8-6-16(21)7-9-17/h2-9,18H,10-13H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95056114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).