1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H25FN2O3 — CID 42939893

IUPAC1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CC(=O)N(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C22H25FN2O3/c1-14-4-7-20(28-3)16(10-14)8-9-24-22(27)17-11-21(26)25(13-17)18-6-5-15(2)19(23)12-18/h4-7,10,12,17H,8-9,11,13H2,1-3H3,(H,24,27)
InChIKeyHOXAFSXQWOZSDU-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.16
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42939893) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42939893
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CC(=O)N(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C22H25FN2O3/c1-14-4-7-20(28-3)16(10-14)8-9-24-22(27)17-11-21(26)25(13-17)18-6-5-15(2)19(23)12-18/h4-7,10,12,17H,8-9,11,13H2,1-3H3,(H,24,27)
InChIKeyHOXAFSXQWOZSDU-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39968150
1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55825479
methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate
CID 36773852
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916
(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
1-(3,4-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186129

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 42939893) is 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1CCNC(=O)C1CC(=O)N(c2ccc(C)c(F)c2)C1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOXAFSXQWOZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14-4-7-20(28-3)16(10-14)8-9-24-22(27)17-11-21(26)25(13-17)18-6-5-15(2)19(23)12-18/h4-7,10,12,17H,8-9,11,13H2,1-3H3,(H,24,27).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42939893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).