(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide

C15H19ClFNOS — CID 8705563

IUPAC(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide
SMILESC[C@@H](SC1CCCCC1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-8-7-11(17)9-13(14)16/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyJPXIORYMMDTNHU-SNVBAGLBSA-N
MW315.84 g/mol
LogP4.87
Rot. Bonds4

About (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide

(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide (PubChem CID 8705563) has the molecular formula C15H19ClFNOS and a molecular weight of 315.84 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide
PubChem CID8705563
Molecular FormulaC15H19ClFNOS
Molecular Weight315.84 g/mol
Exact Mass315.09
IUPAC Name(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide
SMILESC[C@@H](SC1CCCCC1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-8-7-11(17)9-13(14)16/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyJPXIORYMMDTNHU-SNVBAGLBSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide (CID 8705563) is (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide is C[C@@H](SC1CCCCC1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide?
The InChIKey is JPXIORYMMDTNHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClFNOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-14-8-7-11(17)9-13(14)16/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide?
(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide has a molecular weight of 315.84 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide is sourced from PubChem (CID 8705563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).