methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate

C19H18N2O4 — CID 8747295

IUPACmethyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-6-4-13(5-7-14)18(23)20-15-8-10-16(11-9-15)21-12-2-3-17(21)22/h4-11H,2-3,12H2,1H3,(H,20,23)
InChIKeyUOZSPHQNDMJJKM-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.85
Rot. Bonds4

About methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate

methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate (PubChem CID 8747295) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
PubChem CID8747295
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-6-4-13(5-7-14)18(23)20-15-8-10-16(11-9-15)21-12-2-3-17(21)22/h4-11H,2-3,12H2,1H3,(H,20,23)
InChIKeyUOZSPHQNDMJJKM-UHFFFAOYSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate (CID 8747295) is methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
The InChIKey is UOZSPHQNDMJJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-19(24)14-6-4-13(5-7-14)18(23)20-15-8-10-16(11-9-15)21-12-2-3-17(21)22/h4-11H,2-3,12H2,1H3,(H,20,23).
What are the key properties of methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate?
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 8747295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).