methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate

C20H20N2O4 — CID 16918311

IUPACmethyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)17-10-6-5-9-16(17)19(24)21-12-14-11-18(23)22(13-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,24)
InChIKeyUWABSYMLDJJHDR-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.26
Rot. Bonds5

About methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate

methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate (PubChem CID 16918311) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
PubChem CID16918311
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)17-10-6-5-9-16(17)19(24)21-12-14-11-18(23)22(13-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,24)
InChIKeyUWABSYMLDJJHDR-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 40876673
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
CID 16918481
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate?
The IUPAC name of methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate (CID 16918311) is methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate?
The canonical SMILES for methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate is COC(=O)c1ccccc1C(=O)NCC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate?
The InChIKey is UWABSYMLDJJHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-20(25)17-10-6-5-9-16(17)19(24)21-12-14-11-18(23)22(13-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,24).
What are the key properties of methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate?
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate is sourced from PubChem (CID 16918311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).