2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one

C18H12Cl2FNOS — CID 11794141

IUPAC2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccc(Cl)cc2Cl)CC2=C1Sc1cc(F)ccc1N2
InChIInChI=1S/C18H12Cl2FNOS/c19-10-1-3-12(13(20)7-10)9-5-15-18(16(23)6-9)24-17-8-11(21)2-4-14(17)22-15/h1-4,7-9,22H,5-6H2
InChIKeyALTMBKJJZAXADK-UHFFFAOYSA-N
MW380.27 g/mol
LogP6.01
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one

2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 11794141) has the molecular formula C18H12Cl2FNOS and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID11794141
Molecular FormulaC18H12Cl2FNOS
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccc(Cl)cc2Cl)CC2=C1Sc1cc(F)ccc1N2
InChIInChI=1S/C18H12Cl2FNOS/c19-10-1-3-12(13(20)7-10)9-5-15-18(16(23)6-9)24-17-8-11(21)2-4-14(17)22-15/h1-4,7-9,22H,5-6H2
InChIKeyALTMBKJJZAXADK-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one (CID 11794141) is 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one is O=C1CC(c2ccc(Cl)cc2Cl)CC2=C1Sc1cc(F)ccc1N2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is ALTMBKJJZAXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNOS/c19-10-1-3-12(13(20)7-10)9-5-15-18(16(23)6-9)24-17-8-11(21)2-4-14(17)22-15/h1-4,7-9,22H,5-6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one?
2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 380.27 g/mol, XLogP of 6.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 11794141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).