3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide

C19H19N3O4 — CID 41264601

IUPAC3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c23-18(21-11-5-10-17(21)14-6-2-1-3-7-14)13-20-19(24)15-8-4-9-16(12-15)22(25)26/h1-4,6-9,12,17H,5,10-11,13H2,(H,20,24)/t17-/m1/s1
InChIKeyXHZDIIOHLQCHLU-QGZVFWFLSA-N
MW353.38 g/mol
LogP2.69
Rot. Bonds5

About 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide

3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide (PubChem CID 41264601) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
PubChem CID41264601
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c23-18(21-11-5-10-17(21)14-6-2-1-3-7-14)13-20-19(24)15-8-4-9-16(12-15)22(25)26/h1-4,6-9,12,17H,5,10-11,13H2,(H,20,24)/t17-/m1/s1
InChIKeyXHZDIIOHLQCHLU-QGZVFWFLSA-N
XLogP2.69
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.69
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

4-methoxy-3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264640
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652
3,5-dimethoxy-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264676
3,5-dimethoxy-N-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264677
N-[1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 78779296
N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 31060671
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269520
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
N-benzyl-3-nitro(11C)benzamide
CID 71606846
2-(4-nitrophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293733
[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 86951452
N-[2-(cycloheptylamino)ethyl]-3-nitrobenzamide;hydrochloride
CID 119621295

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide (CID 41264601) is 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide?
The InChIKey is XHZDIIOHLQCHLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(21-11-5-10-17(21)14-6-2-1-3-7-14)13-20-19(24)15-8-4-9-16(12-15)22(25)26/h1-4,6-9,12,17H,5,10-11,13H2,(H,20,24)/t17-/m1/s1.
What are the key properties of 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide?
3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 41264601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).