3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide

C15H12Br2N2O4 — CID 17341082

IUPAC3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Br2N2O4/c1-8-3-4-10(7-13(8)19(21)22)18-15(20)11-5-9(16)6-12(17)14(11)23-2/h3-7H,1-2H3,(H,18,20)
InChIKeyAPOCNMDFKVIPGI-UHFFFAOYSA-N
MW444.08 g/mol
LogP4.69
Rot. Bonds4

About 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide

3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 17341082) has the molecular formula C15H12Br2N2O4 and a molecular weight of 444.08 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID17341082
Molecular FormulaC15H12Br2N2O4
Molecular Weight444.08 g/mol
Exact Mass441.92
IUPAC Name3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Br2N2O4/c1-8-3-4-10(7-13(8)19(21)22)18-15(20)11-5-9(16)6-12(17)14(11)23-2/h3-7H,1-2H3,(H,18,20)
InChIKeyAPOCNMDFKVIPGI-UHFFFAOYSA-N
XLogP4.69
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.08
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-2-methoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide
CID 17316980
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 17111500
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide (CID 17341082) is 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is APOCNMDFKVIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O4/c1-8-3-4-10(7-13(8)19(21)22)18-15(20)11-5-9(16)6-12(17)14(11)23-2/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 444.08 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 17341082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).