3-(3,5-dichloroanilino)-2-phenylinden-1-one

C21H13Cl2NO — CID 4280343

IUPAC3-(3,5-dichloroanilino)-2-phenylinden-1-one
SMILESO=C1C(c2ccccc2)=C(Nc2cc(Cl)cc(Cl)c2)c2ccccc21
InChIInChI=1S/C21H13Cl2NO/c22-14-10-15(23)12-16(11-14)24-20-17-8-4-5-9-18(17)21(25)19(20)13-6-2-1-3-7-13/h1-12,24H
InChIKeyCCNZHWQCFOJCER-UHFFFAOYSA-N
MW366.25 g/mol
LogP6.17
Rot. Bonds3

About 3-(3,5-dichloroanilino)-2-phenylinden-1-one

3-(3,5-dichloroanilino)-2-phenylinden-1-one (PubChem CID 4280343) has the molecular formula C21H13Cl2NO and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-2-phenylinden-1-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-2-phenylinden-1-one
PubChem CID4280343
Molecular FormulaC21H13Cl2NO
Molecular Weight366.25 g/mol
Exact Mass365.04
IUPAC Name3-(3,5-dichloroanilino)-2-phenylinden-1-one
SMILESO=C1C(c2ccccc2)=C(Nc2cc(Cl)cc(Cl)c2)c2ccccc21
InChIInChI=1S/C21H13Cl2NO/c22-14-10-15(23)12-16(11-14)24-20-17-8-4-5-9-18(17)21(25)19(20)13-6-2-1-3-7-13/h1-12,24H
InChIKeyCCNZHWQCFOJCER-UHFFFAOYSA-N
XLogP6.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,5-dichloroanilino)-2-phenylinden-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)-2-phenylinden-1-one?
The IUPAC name of 3-(3,5-dichloroanilino)-2-phenylinden-1-one (CID 4280343) is 3-(3,5-dichloroanilino)-2-phenylinden-1-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-2-phenylinden-1-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-2-phenylinden-1-one is O=C1C(c2ccccc2)=C(Nc2cc(Cl)cc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3,5-dichloroanilino)-2-phenylinden-1-one?
The InChIKey is CCNZHWQCFOJCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO/c22-14-10-15(23)12-16(11-14)24-20-17-8-4-5-9-18(17)21(25)19(20)13-6-2-1-3-7-13/h1-12,24H.
What are the key properties of 3-(3,5-dichloroanilino)-2-phenylinden-1-one?
3-(3,5-dichloroanilino)-2-phenylinden-1-one has a molecular weight of 366.25 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-2-phenylinden-1-one is sourced from PubChem (CID 4280343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).