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

C16H12BrClN2O3 — CID 26702751

IUPAC4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1Br
InChIInChI=1S/C16H12BrClN2O3/c1-22-13-5-10(6-14(23-2)15(13)17)16(21)20-11-4-3-9(8-19)12(18)7-11/h3-7H,1-2H3,(H,20,21)
InChIKeyNEXGUMXVMSYPHI-UHFFFAOYSA-N
MW395.64 g/mol
LogP4.24
Rot. Bonds4

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

4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide (PubChem CID 26702751) has the molecular formula C16H12BrClN2O3 and a molecular weight of 395.64 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
PubChem CID26702751
Molecular FormulaC16H12BrClN2O3
Molecular Weight395.64 g/mol
Exact Mass393.97
IUPAC Name4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1Br
InChIInChI=1S/C16H12BrClN2O3/c1-22-13-5-10(6-14(23-2)15(13)17)16(21)20-11-4-3-9(8-19)12(18)7-11/h3-7H,1-2H3,(H,20,21)
InChIKeyNEXGUMXVMSYPHI-UHFFFAOYSA-N
XLogP4.24
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide (CID 26702751) is 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide?
The InChIKey is NEXGUMXVMSYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O3/c1-22-13-5-10(6-14(23-2)15(13)17)16(21)20-11-4-3-9(8-19)12(18)7-11/h3-7H,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide has a molecular weight of 395.64 g/mol, XLogP of 4.24, 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-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 26702751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).