N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide

C18H24ClFN2OS — CID 56856067

IUPACN-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C2CCSC2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H24ClFN2OS/c19-16-11-14(2-3-17(16)20)21-18(23)4-1-13-5-8-22(9-6-13)15-7-10-24-12-15/h2-3,11,13,15H,1,4-10,12H2,(H,21,23)
InChIKeyANGOXLLFDQPBRI-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.42
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (PubChem CID 56856067) has the molecular formula C18H24ClFN2OS and a molecular weight of 370.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
PubChem CID56856067
Molecular FormulaC18H24ClFN2OS
Molecular Weight370.92 g/mol
Exact Mass370.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C2CCSC2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H24ClFN2OS/c19-16-11-14(2-3-17(16)20)21-18(23)4-1-13-5-8-22(9-6-13)15-7-10-24-12-15/h2-3,11,13,15H,1,4-10,12H2,(H,21,23)
InChIKeyANGOXLLFDQPBRI-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (CID 56856067) is N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C2CCSC2)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The InChIKey is ANGOXLLFDQPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2OS/c19-16-11-14(2-3-17(16)20)21-18(23)4-1-13-5-8-22(9-6-13)15-7-10-24-12-15/h2-3,11,13,15H,1,4-10,12H2,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide has a molecular weight of 370.92 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 56856067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).