4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide

C17H16N4O6 — CID 7040519

IUPAC4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O6/c1-11(19-17(23)13-4-8-15(9-5-13)21(26)27)10-18-16(22)12-2-6-14(7-3-12)20(24)25/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)/t11-/m0/s1
InChIKeyJRINMZUBOOCAEO-NSHDSACASA-N
MW372.34 g/mol
LogP2.05
Rot. Bonds7

About 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide

4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide (PubChem CID 7040519) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
PubChem CID7040519
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O6/c1-11(19-17(23)13-4-8-15(9-5-13)21(26)27)10-18-16(22)12-2-6-14(7-3-12)20(24)25/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)/t11-/m0/s1
InChIKeyJRINMZUBOOCAEO-NSHDSACASA-N
XLogP2.05
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
CID 19933575
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
methyl 2-bromo-3-[(4-nitrobenzoyl)amino]propanoate
CID 103492630
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702488
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-nitrobenzamide
CID 141010138
N-[1-(4-methylphenoxy)propan-2-yl]-4-nitrobenzamide
CID 132650572
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide?
The IUPAC name of 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide (CID 7040519) is 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide?
The canonical SMILES for 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide is C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide?
The InChIKey is JRINMZUBOOCAEO-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N4O6/c1-11(19-17(23)13-4-8-15(9-5-13)21(26)27)10-18-16(22)12-2-6-14(7-3-12)20(24)25/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)/t11-/m0/s1.
What are the key properties of 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide?
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide has a molecular weight of 372.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 7040519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).