N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide

C16H14N2O2 — CID 107799224

IUPACN-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(O)c2C)c1C#N
InChIInChI=1S/C16H14N2O2/c1-10-5-3-7-14(13(10)9-17)18-16(20)12-6-4-8-15(19)11(12)2/h3-8,19H,1-2H3,(H,18,20)
InChIKeyDFCDZQSAZODZEV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.13
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide

N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide (PubChem CID 107799224) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
PubChem CID107799224
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(O)c2C)c1C#N
InChIInChI=1S/C16H14N2O2/c1-10-5-3-7-14(13(10)9-17)18-16(20)12-6-4-8-15(19)11(12)2/h3-8,19H,1-2H3,(H,18,20)
InChIKeyDFCDZQSAZODZEV-UHFFFAOYSA-N
XLogP3.13
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
CID 107799208
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
CID 103886633
2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
5-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide (CID 107799224) is N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide is Cc1cccc(NC(=O)c2cccc(O)c2C)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is DFCDZQSAZODZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-5-3-7-14(13(10)9-17)18-16(20)12-6-4-8-15(19)11(12)2/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide?
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107799224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).