5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide

C15H13BrN2O5 — CID 2994913

IUPAC5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13BrN2O5/c1-22-13-5-3-9(16)7-11(13)15(19)17-10-4-6-14(23-2)12(8-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyAYQWHVCVLHRROW-UHFFFAOYSA-N
MW381.18 g/mol
LogP3.63
Rot. Bonds5

About 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide

5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide (PubChem CID 2994913) has the molecular formula C15H13BrN2O5 and a molecular weight of 381.18 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
PubChem CID2994913
Molecular FormulaC15H13BrN2O5
Molecular Weight381.18 g/mol
Exact Mass380.00
IUPAC Name5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13BrN2O5/c1-22-13-5-3-9(16)7-11(13)15(19)17-10-4-6-14(23-2)12(8-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyAYQWHVCVLHRROW-UHFFFAOYSA-N
XLogP3.63
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
3,5-dibromo-2-methoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide
CID 17316980
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide (CID 2994913) is 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
The InChIKey is AYQWHVCVLHRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O5/c1-22-13-5-3-9(16)7-11(13)15(19)17-10-4-6-14(23-2)12(8-10)18(20)21/h3-8H,1-2H3,(H,17,19).
What are the key properties of 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide has a molecular weight of 381.18 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide is sourced from PubChem (CID 2994913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).