5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide

C16H13BrN2O2 — CID 104848978

IUPAC5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C16H13BrN2O2/c1-10-3-5-12(17)8-13(10)16(20)19-14-6-4-11(9-18)7-15(14)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyUQGGKORLFCDFIS-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.89
Rot. Bonds3

About 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide

5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide (PubChem CID 104848978) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
PubChem CID104848978
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C16H13BrN2O2/c1-10-3-5-12(17)8-13(10)16(20)19-14-6-4-11(9-18)7-15(14)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyUQGGKORLFCDFIS-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

2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 154780004
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 104848980
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide (CID 104848978) is 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide is COc1cc(C#N)ccc1NC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide?
The InChIKey is UQGGKORLFCDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-3-5-12(17)8-13(10)16(20)19-14-6-4-11(9-18)7-15(14)21-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide?
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-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 5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 104848978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).