2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide

C10H9ClN2O2 — CID 106500987

IUPAC2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
SMILESCN(CC#N)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-13(5-4-12)10(15)8-6-7(14)2-3-9(8)11/h2-3,6,14H,5H2,1H3
InChIKeyHXTFOMSQYQIWHM-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.64
Rot. Bonds2

About 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide

2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide (PubChem CID 106500987) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
PubChem CID106500987
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
SMILESCN(CC#N)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-13(5-4-12)10(15)8-6-7(14)2-3-9(8)11/h2-3,6,14H,5H2,1H3
InChIKeyHXTFOMSQYQIWHM-UHFFFAOYSA-N
XLogP1.64
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908
4-chloro-N-(cyanomethyl)-N-methyl-3-nitrobenzamide
CID 114036777
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide?
The IUPAC name of 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide (CID 106500987) is 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide is CN(CC#N)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide?
The InChIKey is HXTFOMSQYQIWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13(5-4-12)10(15)8-6-7(14)2-3-9(8)11/h2-3,6,14H,5H2,1H3.
What are the key properties of 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide?
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide has a molecular weight of 224.65 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 106500987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).