3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide

C16H14N2O2 — CID 82179539

IUPAC3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CC#N)c2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-15-7-5-14(6-8-15)18-16(19)13-4-2-3-12(11-13)9-10-17/h2-8,11H,9H2,1H3,(H,18,19)
InChIKeyXXDBIKXEVQIJSY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.01
Rot. Bonds4

About 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide

3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide (PubChem CID 82179539) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
PubChem CID82179539
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CC#N)c2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-15-7-5-14(6-8-15)18-16(19)13-4-2-3-12(11-13)9-10-17/h2-8,11H,9H2,1H3,(H,18,19)
InChIKeyXXDBIKXEVQIJSY-UHFFFAOYSA-N
XLogP3.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(cyanomethyl)benzoyl]amino]benzoic acid
CID 84589175
3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
CID 82179559
N-(4-methoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606757
N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 1310649
3-(cyanomethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 82179569
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
CID 158179575
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-(cyanomethyl)-N-(2-methoxyethyl)benzamide
CID 59900568
3-(cyanomethyl)benzohydrazide
CID 68715824
3-(cyanomethyl)-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 60508902
3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide
CID 75390221

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide (CID 82179539) is 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1.
What is the InChIKey of 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is XXDBIKXEVQIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-7-5-14(6-8-15)18-16(19)13-4-2-3-12(11-13)9-10-17/h2-8,11H,9H2,1H3,(H,18,19).
What are the key properties of 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide?
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 82179539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).