4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide

C18H18N4O7 — CID 17220890

IUPAC4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O7/c1-28-17-5-2-12(10-16(17)22(26)27)18(23)19-14-4-3-13(21(24)25)11-15(14)20-6-8-29-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,23)
InChIKeyZQBBNNUXFLRIIT-UHFFFAOYSA-N
MW402.36 g/mol
LogP2.60
Rot. Bonds6

About 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide

4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide (PubChem CID 17220890) has the molecular formula C18H18N4O7 and a molecular weight of 402.36 g/mol. Its IUPAC name is 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
PubChem CID17220890
Molecular FormulaC18H18N4O7
Molecular Weight402.36 g/mol
Exact Mass402.12
IUPAC Name4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O7/c1-28-17-5-2-12(10-16(17)22(26)27)18(23)19-14-4-3-13(21(24)25)11-15(14)20-6-8-29-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,23)
InChIKeyZQBBNNUXFLRIIT-UHFFFAOYSA-N
XLogP2.60
TPSA137.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
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

4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2979765
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
ethyl 5-[(4-methoxy-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4909958
3-butoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220869
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide (CID 17220890) is 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide?
The InChIKey is ZQBBNNUXFLRIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O7/c1-28-17-5-2-12(10-16(17)22(26)27)18(23)19-14-4-3-13(21(24)25)11-15(14)20-6-8-29-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,23).
What are the key properties of 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide?
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide has a molecular weight of 402.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide is sourced from PubChem (CID 17220890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).