3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

C14H17ClFNO2S — CID 71914679

IUPAC3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(N(C)C(=O)c2cc(F)cc(Cl)c2O)C1
InChIInChI=1S/C14H17ClFNO2S/c1-17(9-3-4-10(7-9)20-2)14(19)11-5-8(16)6-12(15)13(11)18/h5-6,9-10,18H,3-4,7H2,1-2H3
InChIKeyJJOXEIHRCVICTO-UHFFFAOYSA-N
MW317.81 g/mol
LogP3.54
Rot. Bonds3

About 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 71914679) has the molecular formula C14H17ClFNO2S and a molecular weight of 317.81 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID71914679
Molecular FormulaC14H17ClFNO2S
Molecular Weight317.81 g/mol
Exact Mass317.07
IUPAC Name3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(N(C)C(=O)c2cc(F)cc(Cl)c2O)C1
InChIInChI=1S/C14H17ClFNO2S/c1-17(9-3-4-10(7-9)20-2)14(19)11-5-8(16)6-12(15)13(11)18/h5-6,9-10,18H,3-4,7H2,1-2H3
InChIKeyJJOXEIHRCVICTO-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (CID 71914679) is 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(N(C)C(=O)c2cc(F)cc(Cl)c2O)C1.
What is the InChIKey of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is JJOXEIHRCVICTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2S/c1-17(9-3-4-10(7-9)20-2)14(19)11-5-8(16)6-12(15)13(11)18/h5-6,9-10,18H,3-4,7H2,1-2H3.
What are the key properties of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 317.81 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 71914679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).