(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H19FN2O3 — CID 702195

IUPAC(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O3/c1-25-17-5-3-2-4-13(17)11-21-19(24)14-10-18(23)22(12-14)16-8-6-15(20)7-9-16/h2-9,14H,10-12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyWDZPHHFEMQTEIL-CQSZACIVSA-N
MW342.37 g/mol
LogP2.50
Rot. Bonds5

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

(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 702195) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID702195
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O3/c1-25-17-5-3-2-4-13(17)11-21-19(24)14-10-18(23)22(12-14)16-8-6-15(20)7-9-16/h2-9,14H,10-12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyWDZPHHFEMQTEIL-CQSZACIVSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113189741
(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 40979373
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 16819877
1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187995
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134023238
1-(2,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17152009

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 702195) is (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WDZPHHFEMQTEIL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-17-5-3-2-4-13(17)11-21-19(24)14-10-18(23)22(12-14)16-8-6-15(20)7-9-16/h2-9,14H,10-12H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 702195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).