N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide

C16H14N2O2 — CID 60682495

IUPACN-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1O
InChIInChI=1S/C16H14N2O2/c1-11-3-2-4-14(15(11)19)16(20)18-13-7-5-12(6-8-13)9-10-17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyMAQZERPVCWSDCA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.02
Rot. Bonds3

About N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide

N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide (PubChem CID 60682495) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
PubChem CID60682495
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1O
InChIInChI=1S/C16H14N2O2/c1-11-3-2-4-14(15(11)19)16(20)18-13-7-5-12(6-8-13)9-10-17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyMAQZERPVCWSDCA-UHFFFAOYSA-N
XLogP3.02
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
CID 62301838
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
CID 62662482
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62515692
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 35708143
4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide
CID 60598960

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide (CID 60682495) is N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1O.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is MAQZERPVCWSDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-2-4-14(15(11)19)16(20)18-13-7-5-12(6-8-13)9-10-17/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide?
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 60682495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).