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

C16H14N2O — CID 47161976

IUPACN-[(3-cyanophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-18(16(19)15-8-3-2-4-9-15)12-14-7-5-6-13(10-14)11-17/h2-10H,12H2,1H3
InChIKeyYYCSHIRCBSLTMO-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.83
Rot. Bonds3

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

N-[(3-cyanophenyl)methyl]-N-methylbenzamide (PubChem CID 47161976) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methylbenzamide
PubChem CID47161976
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-18(16(19)15-8-3-2-4-9-15)12-14-7-5-6-13(10-14)11-17/h2-10H,12H2,1H3
InChIKeyYYCSHIRCBSLTMO-UHFFFAOYSA-N
XLogP2.83
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
N-[(3-cyanophenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55580715
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methylbenzamide (CID 47161976) is N-[(3-cyanophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methylbenzamide?
The InChIKey is YYCSHIRCBSLTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18(16(19)15-8-3-2-4-9-15)12-14-7-5-6-13(10-14)11-17/h2-10H,12H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methylbenzamide?
N-[(3-cyanophenyl)methyl]-N-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 47161976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).