3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide

C17H18BrNO2 — CID 60737430

IUPAC3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-12-5-4-6-13(9-12)11-19(2)17(20)14-7-8-16(21-3)15(18)10-14/h4-10H,11H2,1-3H3
InChIKeyLSPARJVULTXTRE-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide

3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 60737430) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID60737430
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-12-5-4-6-13(9-12)11-19(2)17(20)14-7-8-16(21-3)15(18)10-14/h4-10H,11H2,1-3H3
InChIKeyLSPARJVULTXTRE-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 60737430) is 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide is COc1ccc(C(=O)N(C)Cc2cccc(C)c2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is LSPARJVULTXTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-5-4-6-13(9-12)11-19(2)17(20)14-7-8-16(21-3)15(18)10-14/h4-10H,11H2,1-3H3.
What are the key properties of 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 60737430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).