N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide

C15H11BrN2O3 — CID 104880346

IUPACN-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(O)c1
InChIInChI=1S/C15H11BrN2O3/c1-21-11-4-5-12(14(19)7-11)15(20)18-13-6-10(16)3-2-9(13)8-17/h2-7,19H,1H3,(H,18,20)
InChIKeyRJFGKMOKARUTTF-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.29
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide

N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 104880346) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
PubChem CID104880346
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(O)c1
InChIInChI=1S/C15H11BrN2O3/c1-21-11-4-5-12(14(19)7-11)15(20)18-13-6-10(16)3-2-9(13)8-17/h2-7,19H,1H3,(H,18,20)
InChIKeyRJFGKMOKARUTTF-UHFFFAOYSA-N
XLogP3.29
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
CID 107798157
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
CID 104880206
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide (CID 104880346) is N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(O)c1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is RJFGKMOKARUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-21-11-4-5-12(14(19)7-11)15(20)18-13-6-10(16)3-2-9(13)8-17/h2-7,19H,1H3,(H,18,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide?
N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 347.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 104880346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).