3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one

C19H15ClFNOS — CID 141165207

IUPAC3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CC(Nc1ccc(Cl)cc1)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFNOS/c20-14-5-9-16(10-6-14)22-17(19-2-1-11-24-19)12-18(23)13-3-7-15(21)8-4-13/h1-11,17,22H,12H2
InChIKeyFEKHCBMYRPPHEZ-UHFFFAOYSA-N
MW359.85 g/mol
LogP5.97
Rot. Bonds6

About 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one

3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 141165207) has the molecular formula C19H15ClFNOS and a molecular weight of 359.85 g/mol. Its IUPAC name is 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID141165207
Molecular FormulaC19H15ClFNOS
Molecular Weight359.85 g/mol
Exact Mass359.05
IUPAC Name3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CC(Nc1ccc(Cl)cc1)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFNOS/c20-14-5-9-16(10-6-14)22-17(19-2-1-11-24-19)12-18(23)13-3-7-15(21)8-4-13/h1-11,17,22H,12H2
InChIKeyFEKHCBMYRPPHEZ-UHFFFAOYSA-N
XLogP5.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.85
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one (CID 141165207) is 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one is O=C(CC(Nc1ccc(Cl)cc1)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is FEKHCBMYRPPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNOS/c20-14-5-9-16(10-6-14)22-17(19-2-1-11-24-19)12-18(23)13-3-7-15(21)8-4-13/h1-11,17,22H,12H2.
What are the key properties of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 359.85 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 141165207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).