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

C16H16BrNO3 — CID 32638662

IUPAC3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C16H16BrNO3/c1-20-10-11-4-3-5-13(8-11)18-16(19)12-6-7-15(21-2)14(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyTZNHYNDHSRTMGV-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.86
Rot. Bonds5

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

3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide (PubChem CID 32638662) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
PubChem CID32638662
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C16H16BrNO3/c1-20-10-11-4-3-5-13(8-11)18-16(19)12-6-7-15(21-2)14(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyTZNHYNDHSRTMGV-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

3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980
3-bromo-N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-methoxybenzamide
CID 1333423
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
3-(methoxymethyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 9378793
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-N-[(3-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 4939163
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide (CID 32638662) is 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide is COCc1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
The InChIKey is TZNHYNDHSRTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-10-11-4-3-5-13(8-11)18-16(19)12-6-7-15(21-2)14(17)9-12/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide?
3-bromo-4-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 3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 32638662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).