4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide

C16H16BrNO3 — CID 78987937

IUPAC4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2ccc(Br)cc2OC)c1
InChIInChI=1S/C16H16BrNO3/c1-20-10-11-4-3-5-13(8-11)18-16(19)14-7-6-12(17)9-15(14)21-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyZBQTYBBZJPCFQT-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.86
Rot. Bonds5

About 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide

4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide (PubChem CID 78987937) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
PubChem CID78987937
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2ccc(Br)cc2OC)c1
InChIInChI=1S/C16H16BrNO3/c1-20-10-11-4-3-5-13(8-11)18-16(19)14-7-6-12(17)9-15(14)21-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyZBQTYBBZJPCFQT-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78988027
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5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
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4-bromo-N-(3-carbamothioylphenyl)-2-methoxybenzamide
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3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
4-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
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N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide (CID 78987937) is 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide is COCc1cccc(NC(=O)c2ccc(Br)cc2OC)c1.
What is the InChIKey of 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
The InChIKey is ZBQTYBBZJPCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-10-11-4-3-5-13(8-11)18-16(19)14-7-6-12(17)9-15(14)21-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide has a molecular weight of 350.21 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 78987937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).