N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide

C16H12F2N2O — CID 82797784

IUPACN-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2cccc(C#N)c2)c1F
InChIInChI=1S/C16H12F2N2O/c1-10-5-6-13(17)14(15(10)18)16(21)20-9-12-4-2-3-11(7-12)8-19/h2-7H,9H2,1H3,(H,20,21)
InChIKeySSANUOKZLCQFFN-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.07
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide

N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82797784) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
PubChem CID82797784
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC NameN-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2cccc(C#N)c2)c1F
InChIInChI=1S/C16H12F2N2O/c1-10-5-6-13(17)14(15(10)18)16(21)20-9-12-4-2-3-11(7-12)8-19/h2-7H,9H2,1H3,(H,20,21)
InChIKeySSANUOKZLCQFFN-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-amino-N-[(3-cyanophenyl)methyl]-2,5-difluorobenzamide
CID 107120616
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]benzonitrile
CID 60711205
N-benzyl-4-cyano-2,6-difluorobenzamide
CID 130162116

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide (CID 82797784) is N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCc2cccc(C#N)c2)c1F.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is SSANUOKZLCQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-10-5-6-13(17)14(15(10)18)16(21)20-9-12-4-2-3-11(7-12)8-19/h2-7H,9H2,1H3,(H,20,21).
What are the key properties of N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide?
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 286.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82797784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).