methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate

C22H23FN2O4 — CID 36773852

IUPACmethyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1
InChIInChI=1S/C22H23FN2O4/c1-14-3-8-18(12-19(14)23)25-13-17(11-20(25)26)21(27)24-10-9-15-4-6-16(7-5-15)22(28)29-2/h3-8,12,17H,9-11,13H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyPBFOPHUYTXESGW-QGZVFWFLSA-N
MW398.43 g/mol
LogP2.63
Rot. Bonds6

About methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate

methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate (PubChem CID 36773852) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate
PubChem CID36773852
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Namemethyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1
InChIInChI=1S/C22H23FN2O4/c1-14-3-8-18(12-19(14)23)25-13-17(11-20(25)26)21(27)24-10-9-15-4-6-16(7-5-15)22(28)29-2/h3-8,12,17H,9-11,13H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyPBFOPHUYTXESGW-QGZVFWFLSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate with MolForge

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42939893
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
1-(4-acetylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113188903
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668
1-(4-fluoro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46538945
1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186176
1-(3,4-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186129
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 43044505
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate (CID 36773852) is methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1.
What is the InChIKey of methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate?
The InChIKey is PBFOPHUYTXESGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-14-3-8-18(12-19(14)23)25-13-17(11-20(25)26)21(27)24-10-9-15-4-6-16(7-5-15)22(28)29-2/h3-8,12,17H,9-11,13H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate?
methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate has a molecular weight of 398.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate is sourced from PubChem (CID 36773852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).