2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one

C21H15Cl2NO2S — CID 2898826

IUPAC2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H15Cl2NO2S/c1-13(26-18-11-10-14(22)12-15(18)23)21(25)24-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)24/h2-13H,1H3
InChIKeyUMHQWRMZPPFGGZ-UHFFFAOYSA-N
MW416.33 g/mol
LogP6.59
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one

2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one (PubChem CID 2898826) has the molecular formula C21H15Cl2NO2S and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one
PubChem CID2898826
Molecular FormulaC21H15Cl2NO2S
Molecular Weight416.33 g/mol
Exact Mass415.02
IUPAC Name2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H15Cl2NO2S/c1-13(26-18-11-10-14(22)12-15(18)23)21(25)24-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)24/h2-13H,1H3
InChIKeyUMHQWRMZPPFGGZ-UHFFFAOYSA-N
XLogP6.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-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

Related Compounds

[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
CID 9119323
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide
CID 4928309
1-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]indole-3-carboxylic acid
CID 99969716
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 26201301
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
4-benzylidene-2-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-5-methylpyrazol-3-one
CID 6977164
1-[2-(2,4-dichlorophenoxy)propanoyl]-2-methylindole-3-carbaldehyde
CID 102552616

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one (CID 2898826) is 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one?
The InChIKey is UMHQWRMZPPFGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO2S/c1-13(26-18-11-10-14(22)12-15(18)23)21(25)24-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)24/h2-13H,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one?
2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one has a molecular weight of 416.33 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one is sourced from PubChem (CID 2898826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).