3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide

C15H11Cl2N3O7 — CID 17050523

IUPAC3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C15H11Cl2N3O7/c1-26-13-9(16)3-7(4-10(13)17)15(21)18-8-5-11(19(22)23)14(27-2)12(6-8)20(24)25/h3-6H,1-2H3,(H,18,21)
InChIKeyALWJFVHAGANWGF-UHFFFAOYSA-N
MW416.17 g/mol
LogP4.08
Rot. Bonds6

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

3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide (PubChem CID 17050523) has the molecular formula C15H11Cl2N3O7 and a molecular weight of 416.17 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
PubChem CID17050523
Molecular FormulaC15H11Cl2N3O7
Molecular Weight416.17 g/mol
Exact Mass415.00
IUPAC Name3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C15H11Cl2N3O7/c1-26-13-9(16)3-7(4-10(13)17)15(21)18-8-5-11(19(22)23)14(27-2)12(6-8)20(24)25/h3-6H,1-2H3,(H,18,21)
InChIKeyALWJFVHAGANWGF-UHFFFAOYSA-N
XLogP4.08
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
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

2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358480
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
N-(4-methoxy-3,5-dinitrophenyl)-3,4-dimethylbenzamide
CID 17050362
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080
3-bromo-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358287
4-butoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050202
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 5304694

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide (CID 17050523) is 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide is COc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The InChIKey is ALWJFVHAGANWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O7/c1-26-13-9(16)3-7(4-10(13)17)15(21)18-8-5-11(19(22)23)14(27-2)12(6-8)20(24)25/h3-6H,1-2H3,(H,18,21).
What are the key properties of 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide has a molecular weight of 416.17 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide is sourced from PubChem (CID 17050523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).