2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide

C26H18N4O7 — CID 2832157

IUPAC2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C26H18N4O7/c31-25(21-5-1-3-7-23(21)29(33)34)27-17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)28-26(32)22-6-2-4-8-24(22)30(35)36/h1-16H,(H,27,31)(H,28,32)
InChIKeyALVXJCIEGOGYDN-UHFFFAOYSA-N
MW498.45 g/mol
LogP5.80
Rot. Bonds8

About 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide

2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide (PubChem CID 2832157) has the molecular formula C26H18N4O7 and a molecular weight of 498.45 g/mol. Its IUPAC name is 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
PubChem CID2832157
Molecular FormulaC26H18N4O7
Molecular Weight498.45 g/mol
Exact Mass498.12
IUPAC Name2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C26H18N4O7/c31-25(21-5-1-3-7-23(21)29(33)34)27-17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)28-26(32)22-6-2-4-8-24(22)30(35)36/h1-16H,(H,27,31)(H,28,32)
InChIKeyALVXJCIEGOGYDN-UHFFFAOYSA-N
XLogP5.80
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.45
LogP ≤ 55.80
H-Bond Donors ≤ 52
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

N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
N-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945
3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide (CID 2832157) is 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide is O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide?
The InChIKey is ALVXJCIEGOGYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O7/c31-25(21-5-1-3-7-23(21)29(33)34)27-17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)28-26(32)22-6-2-4-8-24(22)30(35)36/h1-16H,(H,27,31)(H,28,32).
What are the key properties of 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide?
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide has a molecular weight of 498.45 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide is sourced from PubChem (CID 2832157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).