3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide

C15H13Br2NO2 — CID 103908080

IUPAC3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-18(13-5-3-4-6-14(13)20-2)15(19)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3
InChIKeyNTAWNHPNWVGSGG-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.50
Rot. Bonds3

About 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide

3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide (PubChem CID 103908080) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
PubChem CID103908080
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-18(13-5-3-4-6-14(13)20-2)15(19)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3
InChIKeyNTAWNHPNWVGSGG-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
CID 107027620
N-(2-methoxyphenyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103762954
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027611
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
N-(2-methoxyphenyl)-N-methyl-4-pentoxybenzamide
CID 52701059
5-bromo-4-chloro-2-hydroxy-N-(2-methoxyphenyl)-N-methylbenzamide
CID 68602584
2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
CID 135072686
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
CID 55887630

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide (CID 103908080) is 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide is COc1ccccc1N(C)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide?
The InChIKey is NTAWNHPNWVGSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-18(13-5-3-4-6-14(13)20-2)15(19)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3.
What are the key properties of 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide?
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide has a molecular weight of 399.08 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 103908080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).