N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C13H16N2O3 — CID 78816876

IUPACN-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCO)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C13H16N2O3/c16-8-6-14-13(18)10-3-1-4-11(9-10)15-7-2-5-12(15)17/h1,3-4,9,16H,2,5-8H2,(H,14,18)
InChIKeyHJNXIGLITKEZBB-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.54
Rot. Bonds4

About N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 78816876) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID78816876
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCO)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C13H16N2O3/c16-8-6-14-13(18)10-3-1-4-11(9-10)15-7-2-5-12(15)17/h1,3-4,9,16H,2,5-8H2,(H,14,18)
InChIKeyHJNXIGLITKEZBB-UHFFFAOYSA-N
XLogP0.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
3-(2-oxopyrrolidin-1-yl)-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110615723
3-(2-oxopyrrolidin-1-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86928853
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 78816876) is N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCCO)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HJNXIGLITKEZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-8-6-14-13(18)10-3-1-4-11(9-10)15-7-2-5-12(15)17/h1,3-4,9,16H,2,5-8H2,(H,14,18).
What are the key properties of N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 248.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 78816876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).