N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide

C16H14N2O2 — CID 62968287

IUPACN-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H14N2O2/c1-18(11-13-5-2-4-12(8-13)10-17)16(20)14-6-3-7-15(19)9-14/h2-9,19H,11H2,1H3
InChIKeyAXGXBRJOZGDFNB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide

N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide (PubChem CID 62968287) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
PubChem CID62968287
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H14N2O2/c1-18(11-13-5-2-4-12(8-13)10-17)16(20)14-6-3-7-15(19)9-14/h2-9,19H,11H2,1H3
InChIKeyAXGXBRJOZGDFNB-UHFFFAOYSA-N
XLogP2.54
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N-[(3-cyanophenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55580715
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829715
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide (CID 62968287) is N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide is CN(Cc1cccc(C#N)c1)C(=O)c1cccc(O)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide?
The InChIKey is AXGXBRJOZGDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18(11-13-5-2-4-12(8-13)10-17)16(20)14-6-3-7-15(19)9-14/h2-9,19H,11H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide?
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 62968287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).