3-(cyanomethyl)-N-methylbenzamide

C10H10N2O — CID 69441046

IUPAC3-(cyanomethyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC#N)c1
InChIInChI=1S/C10H10N2O/c1-12-10(13)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3,(H,12,13)
InChIKeySSRQSHHJFJIHRG-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.11
Rot. Bonds2

About 3-(cyanomethyl)-N-methylbenzamide

3-(cyanomethyl)-N-methylbenzamide (PubChem CID 69441046) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-methylbenzamide
PubChem CID69441046
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(cyanomethyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC#N)c1
InChIInChI=1S/C10H10N2O/c1-12-10(13)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3,(H,12,13)
InChIKeySSRQSHHJFJIHRG-UHFFFAOYSA-N
XLogP1.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyanomethyl)benzohydrazide
CID 68715824
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
3-(cyanomethyl)-N-(2-methoxyethyl)benzamide
CID 59900568
3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
CID 82179559
2-[[3-(cyanomethyl)benzoyl]amino]-2-methylpropanoic acid
CID 75482420
3-ethyl-N-methylbenzamide
CID 59115297
4-[[3-(cyanomethyl)benzoyl]amino]benzoic acid
CID 84589175
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
CID 82179539
3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 82179015

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-methylbenzamide?
The IUPAC name of 3-(cyanomethyl)-N-methylbenzamide (CID 69441046) is 3-(cyanomethyl)-N-methylbenzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-methylbenzamide?
The canonical SMILES for 3-(cyanomethyl)-N-methylbenzamide is CNC(=O)c1cccc(CC#N)c1.
What is the InChIKey of 3-(cyanomethyl)-N-methylbenzamide?
The InChIKey is SSRQSHHJFJIHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-10(13)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3,(H,12,13).
What are the key properties of 3-(cyanomethyl)-N-methylbenzamide?
3-(cyanomethyl)-N-methylbenzamide has a molecular weight of 174.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-methylbenzamide is sourced from PubChem (CID 69441046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).