N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide

C17H16N4O6 — CID 17220893

IUPACN-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O6/c22-17(12-1-3-13(4-2-12)20(23)24)18-15-6-5-14(21(25)26)11-16(15)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22)
InChIKeyDUQWGSLXTUNMDA-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.59
Rot. Bonds5

About N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide

N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide (PubChem CID 17220893) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
PubChem CID17220893
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC NameN-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O6/c22-17(12-1-3-13(4-2-12)20(23)24)18-15-6-5-14(21(25)26)11-16(15)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22)
InChIKeyDUQWGSLXTUNMDA-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-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-(5-morpholin-4-ylisoquinolin-8-yl)-4-nitrobenzamide
CID 17475479
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide (CID 17220893) is N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide?
The InChIKey is DUQWGSLXTUNMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6/c22-17(12-1-3-13(4-2-12)20(23)24)18-15-6-5-14(21(25)26)11-16(15)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22).
What are the key properties of N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide?
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide 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 N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide is sourced from PubChem (CID 17220893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).