2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide

C15H19ClFNO2 — CID 56764296

IUPAC2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO2/c16-13-8-11(17)6-7-12(13)15(20)18-9-14(19)10-4-2-1-3-5-10/h6-8,10,14,19H,1-5,9H2,(H,18,20)
InChIKeyOZTJXCGMDNACAD-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide

2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide (PubChem CID 56764296) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide
PubChem CID56764296
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO2/c16-13-8-11(17)6-7-12(13)15(20)18-9-14(19)10-4-2-1-3-5-10/h6-8,10,14,19H,1-5,9H2,(H,18,20)
InChIKeyOZTJXCGMDNACAD-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide (CID 56764296) is 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide is O=C(NCC(O)C1CCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide?
The InChIKey is OZTJXCGMDNACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c16-13-8-11(17)6-7-12(13)15(20)18-9-14(19)10-4-2-1-3-5-10/h6-8,10,14,19H,1-5,9H2,(H,18,20).
What are the key properties of 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide?
2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide has a molecular weight of 299.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide is sourced from PubChem (CID 56764296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).