4-cyano-N-(2,6-diethylphenyl)benzamide

C18H18N2O — CID 2592061

IUPAC4-cyano-N-(2,6-diethylphenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O/c1-3-14-6-5-7-15(4-2)17(14)20-18(21)16-10-8-13(12-19)9-11-16/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyHJTLEKAESDOLBN-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.94
Rot. Bonds4

About 4-cyano-N-(2,6-diethylphenyl)benzamide

4-cyano-N-(2,6-diethylphenyl)benzamide (PubChem CID 2592061) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-cyano-N-(2,6-diethylphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2,6-diethylphenyl)benzamide
PubChem CID2592061
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-cyano-N-(2,6-diethylphenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O/c1-3-14-6-5-7-15(4-2)17(14)20-18(21)16-10-8-13(12-19)9-11-16/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyHJTLEKAESDOLBN-UHFFFAOYSA-N
XLogP3.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-cyanophenyl)-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109092546
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
1-[(4-cyanophenyl)methyl]-3-(2,6-diethylphenyl)-1-methylurea
CID 86987271
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
2-[(4-cyanophenyl)methyl]-1-(2,6-diethylphenyl)guanidine
CID 111052309
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,6-diethylphenyl)benzamide?
The IUPAC name of 4-cyano-N-(2,6-diethylphenyl)benzamide (CID 2592061) is 4-cyano-N-(2,6-diethylphenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2,6-diethylphenyl)benzamide?
The canonical SMILES for 4-cyano-N-(2,6-diethylphenyl)benzamide is CCc1cccc(CC)c1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2,6-diethylphenyl)benzamide?
The InChIKey is HJTLEKAESDOLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-14-6-5-7-15(4-2)17(14)20-18(21)16-10-8-13(12-19)9-11-16/h5-11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 4-cyano-N-(2,6-diethylphenyl)benzamide?
4-cyano-N-(2,6-diethylphenyl)benzamide has a molecular weight of 278.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,6-diethylphenyl)benzamide is sourced from PubChem (CID 2592061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).