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

C17H16N4O4 — CID 95239356

IUPAC4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESNc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16N4O4/c18-13-7-6-11(10-15(13)21(24)25)16(22)19-14-8-9-20(17(14)23)12-4-2-1-3-5-12/h1-7,10,14H,8-9,18H2,(H,19,22)/t14-/m1/s1
InChIKeyXRGPIFMGIBVLGY-CQSZACIVSA-N
MW340.34 g/mol
LogP1.71
Rot. Bonds4

About 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 95239356) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID95239356
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESNc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16N4O4/c18-13-7-6-11(10-15(13)21(24)25)16(22)19-14-8-9-20(17(14)23)12-4-2-1-3-5-12/h1-7,10,14H,8-9,18H2,(H,19,22)/t14-/m1/s1
InChIKeyXRGPIFMGIBVLGY-CQSZACIVSA-N
XLogP1.71
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetyl-2-nitroanilino)-1-phenylpyrrolidin-2-one
CID 133296511
2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234327
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 42925944
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524592

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 95239356) is 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is XRGPIFMGIBVLGY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4O4/c18-13-7-6-11(10-15(13)21(24)25)16(22)19-14-8-9-20(17(14)23)12-4-2-1-3-5-12/h1-7,10,14H,8-9,18H2,(H,19,22)/t14-/m1/s1.
What are the key properties of 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 340.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95239356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).