4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide

C17H16N4O6 — CID 4089078

IUPAC4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O6/c22-17(18-13-3-1-2-4-14(13)20(23)24)12-5-6-15(16(11-12)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22)
InChIKeyCZKMMQZXACZXFV-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.59
Rot. Bonds5

About 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide

4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide (PubChem CID 4089078) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
PubChem CID4089078
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O6/c22-17(18-13-3-1-2-4-14(13)20(23)24)12-5-6-15(16(11-12)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22)
InChIKeyCZKMMQZXACZXFV-UHFFFAOYSA-N
XLogP2.59
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
N-(2-butan-2-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 4812370
4-hydroxy-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 108730214
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350
methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate
CID 17336608
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17177066
N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17117691

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide (CID 4089078) is 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide?
The InChIKey is CZKMMQZXACZXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6/c22-17(18-13-3-1-2-4-14(13)20(23)24)12-5-6-15(16(11-12)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22).
What are the key properties of 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide?
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide has a molecular weight of 372.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 4089078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).