N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide

C17H16N4O6 — CID 17127125

IUPACN-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O6/c22-17(12-1-4-14(5-2-12)20(23)24)18-13-3-6-15(16(11-13)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22)
InChIKeyOWKLHJOUOBTRTG-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.59
Rot. Bonds5

About N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide

N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide (PubChem CID 17127125) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
PubChem CID17127125
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC NameN-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N4O6/c22-17(12-1-4-14(5-2-12)20(23)24)18-13-3-6-15(16(11-13)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22)
InChIKeyOWKLHJOUOBTRTG-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': 'anil_di_alk_A(478)', '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

N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
CID 17127152
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
N-(3-iodo-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3299574
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
CID 2973346
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide (CID 17127125) is N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide is O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide?
The InChIKey is OWKLHJOUOBTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6/c22-17(12-1-4-14(5-2-12)20(23)24)18-13-3-6-15(16(11-13)21(25)26)19-7-9-27-10-8-19/h1-6,11H,7-10H2,(H,18,22).
What are the key properties of N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide?
N-(4-morpholin-4-yl-3-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-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide is sourced from PubChem (CID 17127125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).