2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide

C14H17ClFNOS — CID 42918431

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1ccc(F)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C14H17ClFNOS/c1-9(14(18)17-10-4-2-3-5-10)19-11-6-7-13(16)12(15)8-11/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyVTCHWYYOFGWRRY-UHFFFAOYSA-N
MW301.81 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 42918431) has the molecular formula C14H17ClFNOS and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID42918431
Molecular FormulaC14H17ClFNOS
Molecular Weight301.81 g/mol
Exact Mass301.07
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1ccc(F)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C14H17ClFNOS/c1-9(14(18)17-10-4-2-3-5-10)19-11-6-7-13(16)12(15)8-11/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyVTCHWYYOFGWRRY-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide (CID 42918431) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide is CC(Sc1ccc(F)c(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is VTCHWYYOFGWRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNOS/c1-9(14(18)17-10-4-2-3-5-10)19-11-6-7-13(16)12(15)8-11/h6-10H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 301.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 42918431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).