N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide

C16H13BrN2O2 — CID 104880206

IUPACN-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(Br)ccc2C#N)ccc1C
InChIInChI=1S/C16H13BrN2O2/c1-10-3-4-11(7-15(10)21-2)16(20)19-14-8-13(17)6-5-12(14)9-18/h3-8H,1-2H3,(H,19,20)
InChIKeyAKIFAEYYJJRABC-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.89
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide

N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide (PubChem CID 104880206) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
PubChem CID104880206
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(Br)ccc2C#N)ccc1C
InChIInChI=1S/C16H13BrN2O2/c1-10-3-4-11(7-15(10)21-2)16(20)19-14-8-13(17)6-5-12(14)9-18/h3-8H,1-2H3,(H,19,20)
InChIKeyAKIFAEYYJJRABC-UHFFFAOYSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
2-amino-N-(5-bromo-2-cyanophenyl)-6-methoxybenzamide
CID 107796967
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
CID 104880346
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
CID 107798157
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide (CID 104880206) is N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc(Br)ccc2C#N)ccc1C.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is AKIFAEYYJJRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-3-4-11(7-15(10)21-2)16(20)19-14-8-13(17)6-5-12(14)9-18/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide?
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 345.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 104880206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).