2-[(3-bromophenyl)methoxy]-N-methoxybenzamide

C15H14BrNO3 — CID 33104537

IUPAC2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO3/c1-19-17-15(18)13-7-2-3-8-14(13)20-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRCYQUUUSIJMNLF-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.32
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide

2-[(3-bromophenyl)methoxy]-N-methoxybenzamide (PubChem CID 33104537) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
PubChem CID33104537
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO3/c1-19-17-15(18)13-7-2-3-8-14(13)20-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRCYQUUUSIJMNLF-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
dimethyl 3-[(3-bromophenyl)methoxy]benzene-1,2-dicarboxylate
CID 66906596
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 31306240
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
ethyl 4-[2-[(3-bromophenyl)methoxy]benzoyl]piperazine-1-carboxylate
CID 30687965
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide (CID 33104537) is 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide is CONC(=O)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide?
The InChIKey is RCYQUUUSIJMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-17-15(18)13-7-2-3-8-14(13)20-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide?
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-methoxybenzamide is sourced from PubChem (CID 33104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).