4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide

C17H16N2O2 — CID 82178795

IUPAC4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-16-8-4-14(5-9-16)12-19-17(20)15-6-2-13(3-7-15)10-11-18/h2-9H,10,12H2,1H3,(H,19,20)
InChIKeyIGWPZDGMKJKLGJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds5

About 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide

4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 82178795) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID82178795
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-16-8-4-14(5-9-16)12-19-17(20)15-6-2-13(3-7-15)10-11-18/h2-9H,10,12H2,1H3,(H,19,20)
InChIKeyIGWPZDGMKJKLGJ-UHFFFAOYSA-N
XLogP2.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
4-(cyanomethyl)-N-ethylbenzamide
CID 82178780
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
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
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide (CID 82178795) is 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is IGWPZDGMKJKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-8-4-14(5-9-16)12-19-17(20)15-6-2-13(3-7-15)10-11-18/h2-9H,10,12H2,1H3,(H,19,20).
What are the key properties of 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide?
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 82178795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).