N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide

C15H11BrN2O2 — CID 107675930

IUPACN-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C#N)ccc1O
InChIInChI=1S/C15H11BrN2O2/c1-9-6-10(2-5-14(9)19)15(20)18-13-4-3-12(16)7-11(13)8-17/h2-7,19H,1H3,(H,18,20)
InChIKeyVOFJHWVQKBSZCA-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.59
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide

N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107675930) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide
PubChem CID107675930
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC NameN-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C#N)ccc1O
InChIInChI=1S/C15H11BrN2O2/c1-9-6-10(2-5-14(9)19)15(20)18-13-4-3-12(16)7-11(13)8-17/h2-7,19H,1H3,(H,18,20)
InChIKeyVOFJHWVQKBSZCA-UHFFFAOYSA-N
XLogP3.59
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82708535
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide (CID 107675930) is N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(Br)cc2C#N)ccc1O.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is VOFJHWVQKBSZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-6-10(2-5-14(9)19)15(20)18-13-4-3-12(16)7-11(13)8-17/h2-7,19H,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide?
N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 331.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107675930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).