3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide

C16H16BrNO2 — CID 160806024

IUPAC3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide
SMILESCOc1c(Cc2ccc(Br)cc2C)cccc1C(N)=O
InChIInChI=1S/C16H16BrNO2/c1-10-8-13(17)7-6-11(10)9-12-4-3-5-14(16(18)19)15(12)20-2/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeySDRXQCFJDQZSFU-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.46
Rot. Bonds4

About 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide

3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide (PubChem CID 160806024) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide
PubChem CID160806024
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide
SMILESCOc1c(Cc2ccc(Br)cc2C)cccc1C(N)=O
InChIInChI=1S/C16H16BrNO2/c1-10-8-13(17)7-6-11(10)9-12-4-3-5-14(16(18)19)15(12)20-2/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeySDRXQCFJDQZSFU-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
2,3-dimethoxybenzamide;hydrate
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CID 68508127
2-[[4-(4-hydroxyphenyl)-2-methylphenyl]methyl]benzamide
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2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
CID 28596653
2-amino-3-[(2,4-dibromophenyl)methyl]benzoic acid
CID 19612076
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
methyl 3-(4-bromo-2-methylphenyl)-2-chloropropanoate
CID 79021527
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
4-bromo-2-[(2-methylphenyl)methyl]phenol
CID 164892192
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide?
The IUPAC name of 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide (CID 160806024) is 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide?
The canonical SMILES for 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide is COc1c(Cc2ccc(Br)cc2C)cccc1C(N)=O.
What is the InChIKey of 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide?
The InChIKey is SDRXQCFJDQZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-8-13(17)7-6-11(10)9-12-4-3-5-14(16(18)19)15(12)20-2/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide?
3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-methylphenyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 160806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).