4-(cyanomethyl)-N-ethylbenzamide

C11H12N2O — CID 82178780

IUPAC4-(cyanomethyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C11H12N2O/c1-2-13-11(14)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyIAAKTYROKYHMHC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.50
Rot. Bonds3

About 4-(cyanomethyl)-N-ethylbenzamide

4-(cyanomethyl)-N-ethylbenzamide (PubChem CID 82178780) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-ethylbenzamide
PubChem CID82178780
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(cyanomethyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C11H12N2O/c1-2-13-11(14)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyIAAKTYROKYHMHC-UHFFFAOYSA-N
XLogP1.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyanomethyl)-N-pentylbenzamide
CID 82178782
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795
4-(cyanomethyl)-N,N-diethylbenzamide
CID 82179217
2-[[4-(cyanomethyl)benzoyl]amino]propanoic acid
CID 82178772
4-(cyanomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 82178807
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-benzyl-N-ethylbenzamide
CID 134120069
4-tert-butyl-N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]benzamide
CID 26374575
4-(cyanomethyl)-N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]benzamide
CID 57264454
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
N-ethyl-4-prop-2-enylbenzamide
CID 137333139

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-ethylbenzamide?
The IUPAC name of 4-(cyanomethyl)-N-ethylbenzamide (CID 82178780) is 4-(cyanomethyl)-N-ethylbenzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-ethylbenzamide?
The canonical SMILES for 4-(cyanomethyl)-N-ethylbenzamide is CCNC(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-ethylbenzamide?
The InChIKey is IAAKTYROKYHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-13-11(14)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 4-(cyanomethyl)-N-ethylbenzamide?
4-(cyanomethyl)-N-ethylbenzamide has a molecular weight of 188.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-ethylbenzamide is sourced from PubChem (CID 82178780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).