3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide

C22H18N2O2 — CID 52738677

IUPAC3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-9-11-20(12-10-16)24-22(25)17-7-4-8-21(13-17)26-15-19-6-3-2-5-18(19)14-23/h2-13H,15H2,1H3,(H,24,25)
InChIKeyZULCKCGRJWBZHT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.70
Rot. Bonds5

About 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide

3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide (PubChem CID 52738677) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
PubChem CID52738677
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-9-11-20(12-10-16)24-22(25)17-7-4-8-21(13-17)26-15-19-6-3-2-5-18(19)14-23/h2-13H,15H2,1H3,(H,24,25)
InChIKeyZULCKCGRJWBZHT-UHFFFAOYSA-N
XLogP4.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
CID 60572425
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
CID 47059942
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86832339
2-(2-cyanophenyl)-N-(4-methylphenyl)acetamide
CID 134694438
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972910
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide (CID 52738677) is 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1.
What is the InChIKey of 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide?
The InChIKey is ZULCKCGRJWBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16-9-11-20(12-10-16)24-22(25)17-7-4-8-21(13-17)26-15-19-6-3-2-5-18(19)14-23/h2-13H,15H2,1H3,(H,24,25).
What are the key properties of 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide?
3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 52738677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).