3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one

C13H11Cl2NOS — CID 2230040

IUPAC3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)c1cccs1
InChIInChI=1S/C13H11Cl2NOS/c14-9-6-10(15)8-11(7-9)16-4-3-12(17)13-2-1-5-18-13/h1-2,5-8,16H,3-4H2
InChIKeyVTBBGYYHFOVPOB-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.74
Rot. Bonds5

About 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one

3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 2230040) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID2230040
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)c1cccs1
InChIInChI=1S/C13H11Cl2NOS/c14-9-6-10(15)8-11(7-9)16-4-3-12(17)13-2-1-5-18-13/h1-2,5-8,16H,3-4H2
InChIKeyVTBBGYYHFOVPOB-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one (CID 2230040) is 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one is O=C(CCNc1cc(Cl)cc(Cl)c1)c1cccs1.
What is the InChIKey of 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is VTBBGYYHFOVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-9-6-10(15)8-11(7-9)16-4-3-12(17)13-2-1-5-18-13/h1-2,5-8,16H,3-4H2.
What are the key properties of 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one?
3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 300.21 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 2230040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).