4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide

C19H19ClFNO2S — CID 26635879

IUPAC4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO2S/c20-15-4-2-14(3-5-15)18(23)10-11-19(24)22-12-1-13-25-17-8-6-16(21)7-9-17/h2-9H,1,10-13H2,(H,22,24)
InChIKeyOZNQVCARPXKKIX-UHFFFAOYSA-N
MW379.88 g/mol
LogP4.74
Rot. Bonds9

About 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide (PubChem CID 26635879) has the molecular formula C19H19ClFNO2S and a molecular weight of 379.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
PubChem CID26635879
Molecular FormulaC19H19ClFNO2S
Molecular Weight379.88 g/mol
Exact Mass379.08
IUPAC Name4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C19H19ClFNO2S/c20-15-4-2-14(3-5-15)18(23)10-11-19(24)22-12-1-13-25-17-8-6-16(21)7-9-17/h2-9H,1,10-13H2,(H,22,24)
InChIKeyOZNQVCARPXKKIX-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119384723
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide (CID 26635879) is 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCCCSc1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide?
The InChIKey is OZNQVCARPXKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2S/c20-15-4-2-14(3-5-15)18(23)10-11-19(24)22-12-1-13-25-17-8-6-16(21)7-9-17/h2-9H,1,10-13H2,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide has a molecular weight of 379.88 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide is sourced from PubChem (CID 26635879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).