(3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone

C19H11ClFNOS — CID 127031795

IUPAC(3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H11ClFNOS/c20-13-11-12(9-10-14(13)21)19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-11H
InChIKeyAQJXXODDRAKKEX-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.92
Rot. Bonds1

About (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone

(3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone (PubChem CID 127031795) has the molecular formula C19H11ClFNOS and a molecular weight of 355.82 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone
PubChem CID127031795
Molecular FormulaC19H11ClFNOS
Molecular Weight355.82 g/mol
Exact Mass355.02
IUPAC Name(3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H11ClFNOS/c20-13-11-12(9-10-14(13)21)19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-11H
InChIKeyAQJXXODDRAKKEX-UHFFFAOYSA-N
XLogP5.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone (CID 127031795) is (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone is O=C(c1ccc(F)c(Cl)c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone?
The InChIKey is AQJXXODDRAKKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNOS/c20-13-11-12(9-10-14(13)21)19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-11H.
What are the key properties of (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone?
(3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone has a molecular weight of 355.82 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 127031795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).