2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide

C17H17ClN2O2 — CID 109399545

IUPAC2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide
SMILESO=C(c1cc(-c2ccccn2)ccc1Cl)N(CCO)C1CC1
InChIInChI=1S/C17H17ClN2O2/c18-15-7-4-12(16-3-1-2-8-19-16)11-14(15)17(22)20(9-10-21)13-5-6-13/h1-4,7-8,11,13,21H,5-6,9-10H2
InChIKeyARWDJKSKUKHRIH-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.00
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide

2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide (PubChem CID 109399545) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide
PubChem CID109399545
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide
SMILESO=C(c1cc(-c2ccccn2)ccc1Cl)N(CCO)C1CC1
InChIInChI=1S/C17H17ClN2O2/c18-15-7-4-12(16-3-1-2-8-19-16)11-14(15)17(22)20(9-10-21)13-5-6-13/h1-4,7-8,11,13,21H,5-6,9-10H2
InChIKeyARWDJKSKUKHRIH-UHFFFAOYSA-N
XLogP3.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide (CID 109399545) is 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide is O=C(c1cc(-c2ccccn2)ccc1Cl)N(CCO)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide?
The InChIKey is ARWDJKSKUKHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-7-4-12(16-3-1-2-8-19-16)11-14(15)17(22)20(9-10-21)13-5-6-13/h1-4,7-8,11,13,21H,5-6,9-10H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide?
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 109399545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).