N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide

C16H14N2O2 — CID 62983094

IUPACN-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1O
InChIInChI=1S/C16H14N2O2/c1-11-6-7-13(9-15(11)19)16(20)18(2)14-5-3-4-12(8-14)10-17/h3-9,19H,1-2H3
InChIKeySWLMMWYLBHPCFU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds2

About N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide

N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 62983094) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
PubChem CID62983094
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1O
InChIInChI=1S/C16H14N2O2/c1-11-6-7-13(9-15(11)19)16(20)18(2)14-5-3-4-12(8-14)10-17/h3-9,19H,1-2H3
InChIKeySWLMMWYLBHPCFU-UHFFFAOYSA-N
XLogP2.85
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
CID 52822955
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107096775
N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
CID 70325221
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79479305

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide (CID 62983094) is N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1O.
What is the InChIKey of N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is SWLMMWYLBHPCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-6-7-13(9-15(11)19)16(20)18(2)14-5-3-4-12(8-14)10-17/h3-9,19H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide?
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 62983094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).