3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide

C11H12N2O2 — CID 78885620

IUPAC3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
SMILESN#CCc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C11H12N2O2/c12-5-4-9-2-1-3-10(8-9)11(15)13-6-7-14/h1-3,8,14H,4,6-7H2,(H,13,15)
InChIKeyDSLUFTDCNIUHSF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.47
Rot. Bonds4

About 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide

3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide (PubChem CID 78885620) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
PubChem CID78885620
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
SMILESN#CCc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C11H12N2O2/c12-5-4-9-2-1-3-10(8-9)11(15)13-6-7-14/h1-3,8,14H,4,6-7H2,(H,13,15)
InChIKeyDSLUFTDCNIUHSF-UHFFFAOYSA-N
XLogP0.47
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
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3-(cyanomethyl)-N-cyclopentylbenzamide
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CID 82179048
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
CID 138647417
3-(cyanomethyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide (CID 78885620) is 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide is N#CCc1cccc(C(=O)NCCO)c1.
What is the InChIKey of 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is DSLUFTDCNIUHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-5-4-9-2-1-3-10(8-9)11(15)13-6-7-14/h1-3,8,14H,4,6-7H2,(H,13,15).
What are the key properties of 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide?
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 78885620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).