2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide

C23H27ClN2O2 — CID 24968614

IUPAC2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
SMILESO=C(c1ccccc1Cl)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C23H27ClN2O2/c24-20-6-2-1-5-19(20)22(28)26(17-8-9-17)18-10-12-23(13-11-18,14-16-27)21-7-3-4-15-25-21/h1-7,15,17-18,27H,8-14,16H2
InChIKeyHEMAYUJMGBTZET-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.60
Rot. Bonds6

About 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide

2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide (PubChem CID 24968614) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
PubChem CID24968614
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
SMILESO=C(c1ccccc1Cl)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C23H27ClN2O2/c24-20-6-2-1-5-19(20)22(28)26(17-8-9-17)18-10-12-23(13-11-18,14-16-27)21-7-3-4-15-25-21/h1-7,15,17-18,27H,8-14,16H2
InChIKeyHEMAYUJMGBTZET-UHFFFAOYSA-N
XLogP4.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.60
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-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide (CID 24968614) is 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide is O=C(c1ccccc1Cl)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The InChIKey is HEMAYUJMGBTZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-20-6-2-1-5-19(20)22(28)26(17-8-9-17)18-10-12-23(13-11-18,14-16-27)21-7-3-4-15-25-21/h1-7,15,17-18,27H,8-14,16H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide has a molecular weight of 398.93 g/mol, XLogP of 4.60, 6 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-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide is sourced from PubChem (CID 24968614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).