2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H17N3O4 — CID 26458961

IUPAC2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17N3O4/c22-17(11-13-5-1-2-8-16(13)21(24)25)19-14-6-3-7-15(12-14)20-10-4-9-18(20)23/h1-3,5-8,12H,4,9-11H2,(H,19,22)
InChIKeyMBSOXKZVRJPJHB-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 26458961) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID26458961
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17N3O4/c22-17(11-13-5-1-2-8-16(13)21(24)25)19-14-6-3-7-15(12-14)20-10-4-9-18(20)23/h1-3,5-8,12H,4,9-11H2,(H,19,22)
InChIKeyMBSOXKZVRJPJHB-UHFFFAOYSA-N
XLogP2.90
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565
2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41458994
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248679
N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36662997
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-(4-bromophenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46425011
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 26458961) is 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is MBSOXKZVRJPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(11-13-5-1-2-8-16(13)21(24)25)19-14-6-3-7-15(12-14)20-10-4-9-18(20)23/h1-3,5-8,12H,4,9-11H2,(H,19,22).
What are the key properties of 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 26458961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).