3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide

C18H17N3O4 — CID 16918248

IUPAC3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O4/c22-17-9-13(12-20(17)15-6-2-1-3-7-15)11-19-18(23)14-5-4-8-16(10-14)21(24)25/h1-8,10,13H,9,11-12H2,(H,19,23)
InChIKeyFPGTYYJLVIVTGW-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.38
Rot. Bonds5

About 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide

3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 16918248) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID16918248
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O4/c22-17-9-13(12-20(17)15-6-2-1-3-7-15)11-19-18(23)14-5-4-8-16(10-14)21(24)25/h1-8,10,13H,9,11-12H2,(H,19,23)
InChIKeyFPGTYYJLVIVTGW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
2-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-5-nitrobenzamide
CID 16918709
N-[[5-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 18448030
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255372
2-chloro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5-nitrobenzamide
CID 16918405
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-nitrobenzamide
CID 90567495
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 16918248) is 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is FPGTYYJLVIVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17-9-13(12-20(17)15-6-2-1-3-7-15)11-19-18(23)14-5-4-8-16(10-14)21(24)25/h1-8,10,13H,9,11-12H2,(H,19,23).
What are the key properties of 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 16918248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).