4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide

C16H13BrN2O3 — CID 9083182

IUPAC4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1Br
InChIInChI=1S/C16H13BrN2O3/c1-21-13-7-11(8-14(22-2)15(13)17)16(20)19-12-5-3-4-10(6-12)9-18/h3-8H,1-2H3,(H,19,20)
InChIKeyCHCCMWKMGHYVOP-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.59
Rot. Bonds4

About 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide

4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide (PubChem CID 9083182) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
PubChem CID9083182
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1Br
InChIInChI=1S/C16H13BrN2O3/c1-21-13-7-11(8-14(22-2)15(13)17)16(20)19-12-5-3-4-10(6-12)9-18/h3-8H,1-2H3,(H,19,20)
InChIKeyCHCCMWKMGHYVOP-UHFFFAOYSA-N
XLogP3.59
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
CID 26702751
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide (CID 9083182) is 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide?
The InChIKey is CHCCMWKMGHYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-21-13-7-11(8-14(22-2)15(13)17)16(20)19-12-5-3-4-10(6-12)9-18/h3-8H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide has a molecular weight of 361.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 9083182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).