3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one

C13H11Cl2NO2 — CID 760985

IUPAC3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11Cl2NO2/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
InChIKeyFAJCEBKSZHSNHZ-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.27
Rot. Bonds5

About 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one

3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one (PubChem CID 760985) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one
PubChem CID760985
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11Cl2NO2/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
InChIKeyFAJCEBKSZHSNHZ-UHFFFAOYSA-N
XLogP4.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one (CID 760985) is 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one is O=C(CCNc1cc(Cl)cc(Cl)c1)c1ccco1.
What is the InChIKey of 3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one?
The InChIKey is FAJCEBKSZHSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/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-(furan-2-yl)propan-1-one?
3-(3,5-dichloroanilino)-1-(furan-2-yl)propan-1-one has a molecular weight of 284.14 g/mol, XLogP of 4.27, 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-(furan-2-yl)propan-1-one is sourced from PubChem (CID 760985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).