2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide

C16H15N3O8 — CID 5304694

IUPAC2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C16H15N3O8/c1-25-10-4-5-11(14(8-10)26-2)16(20)17-9-6-12(18(21)22)15(27-3)13(7-9)19(23)24/h4-8H,1-3H3,(H,17,20)
InChIKeyICKPGJREGDSDOJ-UHFFFAOYSA-N
MW377.31 g/mol
LogP2.78
Rot. Bonds7

About 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide

2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide (PubChem CID 5304694) has the molecular formula C16H15N3O8 and a molecular weight of 377.31 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
PubChem CID5304694
Molecular FormulaC16H15N3O8
Molecular Weight377.31 g/mol
Exact Mass377.09
IUPAC Name2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C16H15N3O8/c1-25-10-4-5-11(14(8-10)26-2)16(20)17-9-6-12(18(21)22)15(27-3)13(7-9)19(23)24/h4-8H,1-3H3,(H,17,20)
InChIKeyICKPGJREGDSDOJ-UHFFFAOYSA-N
XLogP2.78
TPSA143.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.78
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

2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358480
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
N-(4-methoxy-3,5-dinitrophenyl)-3,4-dimethylbenzamide
CID 17050362
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
4-butoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050202
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050523
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
3-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 7375040

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide (CID 5304694) is 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide is COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The InChIKey is ICKPGJREGDSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O8/c1-25-10-4-5-11(14(8-10)26-2)16(20)17-9-6-12(18(21)22)15(27-3)13(7-9)19(23)24/h4-8H,1-3H3,(H,17,20).
What are the key properties of 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide has a molecular weight of 377.31 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide is sourced from PubChem (CID 5304694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).