(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone

C20H10Cl2F3NOS — CID 599640

IUPAC(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H10Cl2F3NOS/c21-13-7-5-11(9-14(13)22)19(27)26-15-3-1-2-4-17(15)28-18-8-6-12(10-16(18)26)20(23,24)25/h1-10H
InChIKeyLXFQAHHCLJJQIY-UHFFFAOYSA-N
MW440.27 g/mol
LogP7.46
Rot. Bonds1

About (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone

(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone (PubChem CID 599640) has the molecular formula C20H10Cl2F3NOS and a molecular weight of 440.27 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
PubChem CID599640
Molecular FormulaC20H10Cl2F3NOS
Molecular Weight440.27 g/mol
Exact Mass438.98
IUPAC Name(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H10Cl2F3NOS/c21-13-7-5-11(9-14(13)22)19(27)26-15-3-1-2-4-17(15)28-18-8-6-12(10-16(18)26)20(23,24)25/h1-10H
InChIKeyLXFQAHHCLJJQIY-UHFFFAOYSA-N
XLogP7.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.27
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone 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

1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CID 154359839
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
CID 91689668
N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide
CID 19916626
3-phenyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one
CID 2857001
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
CID 27184279
[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl] nitrate
CID 90480433
2-(3-hydroxypiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 5181005
2-morpholin-4-ium-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride
CID 43834407
diethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium chloride
CID 43834220
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1166112
(3-chloro-4-ethoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517523

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone (CID 599640) is (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone?
The InChIKey is LXFQAHHCLJJQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F3NOS/c21-13-7-5-11(9-14(13)22)19(27)26-15-3-1-2-4-17(15)28-18-8-6-12(10-16(18)26)20(23,24)25/h1-10H.
What are the key properties of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone?
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone has a molecular weight of 440.27 g/mol, XLogP of 7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone is sourced from PubChem (CID 599640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).