N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide

C15H13ClFNOS — CID 107531677

IUPACN-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1cc(F)ccc1Cl)C(S)Cc1ccccc1
InChIInChI=1S/C15H13ClFNOS/c16-12-7-6-11(17)9-13(12)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,18,19)
InChIKeyYZWPYKSIINIEMY-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.96
Rot. Bonds4

About N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide

N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107531677) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107531677
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC NameN-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1cc(F)ccc1Cl)C(S)Cc1ccccc1
InChIInChI=1S/C15H13ClFNOS/c16-12-7-6-11(17)9-13(12)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,18,19)
InChIKeyYZWPYKSIINIEMY-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 107020178
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021334
3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
CID 107028642
N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021867
N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022287
N-(2-chloro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022021
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107036110
2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
CID 110483797
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
N-(2-bromo-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107019806

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide (CID 107531677) is N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide is O=C(Nc1cc(F)ccc1Cl)C(S)Cc1ccccc1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is YZWPYKSIINIEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c16-12-7-6-11(17)9-13(12)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,18,19).
What are the key properties of N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide?
N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 309.79 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107531677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).