1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C20H21FN2O4 — CID 46048576

IUPAC1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CCC(C(=O)NCc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H21FN2O4/c1-26-15-7-8-18(27-2)17(11-15)23-10-9-16(20(23)25)19(24)22-12-13-3-5-14(21)6-4-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyWRTZKQUTPHTKIU-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.51
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048576) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID46048576
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CCC(C(=O)NCc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H21FN2O4/c1-26-15-7-8-18(27-2)17(11-15)23-10-9-16(20(23)25)19(24)22-12-13-3-5-14(21)6-4-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyWRTZKQUTPHTKIU-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797734
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797727
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645
(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330664
(3R)-N-[(4-butoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 94080020
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 46048576) is 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CCC(C(=O)NCc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WRTZKQUTPHTKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-15-7-8-18(27-2)17(11-15)23-10-9-16(20(23)25)19(24)22-12-13-3-5-14(21)6-4-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).