5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide

C22H18N4O8 — CID 131864696

IUPAC5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])cc2)c1
InChIInChI=1S/C22H18N4O8/c1-33-15-7-9-19(25(29)30)17(11-15)21(27)23-13-3-5-14(6-4-13)24-22(28)18-12-16(34-2)8-10-20(18)26(31)32/h3-12H,1-2H3,(H,23,27)(H,24,28)
InChIKeyOONXEMFSSUUUDE-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.02
Rot. Bonds8

About 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide (PubChem CID 131864696) has the molecular formula C22H18N4O8 and a molecular weight of 466.41 g/mol. Its IUPAC name is 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
PubChem CID131864696
Molecular FormulaC22H18N4O8
Molecular Weight466.41 g/mol
Exact Mass466.11
IUPAC Name5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])cc2)c1
InChIInChI=1S/C22H18N4O8/c1-33-15-7-9-19(25(29)30)17(11-15)21(27)23-13-3-5-14(6-4-13)24-22(28)18-12-16(34-2)8-10-20(18)26(31)32/h3-12H,1-2H3,(H,23,27)(H,24,28)
InChIKeyOONXEMFSSUUUDE-UHFFFAOYSA-N
XLogP4.02
TPSA162.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
5-methoxy-2-nitro-N-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 47858544
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
5-methoxy-2-nitro-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)benzamide
CID 59848994
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
CID 21275738
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249
N-(4-acetamidophenyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55752418

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide?
The IUPAC name of 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide (CID 131864696) is 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide.
What is the SMILES notation for 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide?
The canonical SMILES for 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide is COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])cc2)c1.
What is the InChIKey of 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide?
The InChIKey is OONXEMFSSUUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O8/c1-33-15-7-9-19(25(29)30)17(11-15)21(27)23-13-3-5-14(6-4-13)24-22(28)18-12-16(34-2)8-10-20(18)26(31)32/h3-12H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide?
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide has a molecular weight of 466.41 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide is sourced from PubChem (CID 131864696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).