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

C23H26ClFN2O2 — CID 24968615

IUPAC4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
SMILESO=C(c1ccc(Cl)cc1F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C23H26ClFN2O2/c24-16-4-7-19(20(25)15-16)22(29)27(17-5-6-17)18-8-10-23(11-9-18,12-14-28)21-3-1-2-13-26-21/h1-4,7,13,15,17-18,28H,5-6,8-12,14H2
InChIKeyGWQZMUXNZOERGF-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.74
Rot. Bonds6

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

4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide (PubChem CID 24968615) has the molecular formula C23H26ClFN2O2 and a molecular weight of 416.92 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
PubChem CID24968615
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
SMILESO=C(c1ccc(Cl)cc1F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C23H26ClFN2O2/c24-16-4-7-19(20(25)15-16)22(29)27(17-5-6-17)18-8-10-23(11-9-18,12-14-28)21-3-1-2-13-26-21/h1-4,7,13,15,17-18,28H,5-6,8-12,14H2
InChIKeyGWQZMUXNZOERGF-UHFFFAOYSA-N
XLogP4.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide (CID 24968615) is 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide is O=C(c1ccc(Cl)cc1F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The InChIKey is GWQZMUXNZOERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c24-16-4-7-19(20(25)15-16)22(29)27(17-5-6-17)18-8-10-23(11-9-18,12-14-28)21-3-1-2-13-26-21/h1-4,7,13,15,17-18,28H,5-6,8-12,14H2.
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide has a molecular weight of 416.92 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide is sourced from PubChem (CID 24968615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).