N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide

C16H16BrNO3 — CID 110604740

IUPACN-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-12(17)8-13(5-10)18-16(19)11-6-14(20-2)9-15(7-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGWGAJTBCYLIMGV-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide

N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide (PubChem CID 110604740) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
PubChem CID110604740
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-12(17)8-13(5-10)18-16(19)11-6-14(20-2)9-15(7-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGWGAJTBCYLIMGV-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide (CID 110604740) is N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(C)cc(Br)c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is GWGAJTBCYLIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-4-12(17)8-13(5-10)18-16(19)11-6-14(20-2)9-15(7-11)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide?
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 110604740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).