(2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone

C19H11ClFNOS — CID 1034804

IUPAC(2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H11ClFNOS/c20-13-7-10-18-16(11-13)22(15-3-1-2-4-17(15)24-18)19(23)12-5-8-14(21)9-6-12/h1-11H
InChIKeyZIODYYPGCIHDBM-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.92
Rot. Bonds1

About (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone

(2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone (PubChem CID 1034804) has the molecular formula C19H11ClFNOS and a molecular weight of 355.82 g/mol. Its IUPAC name is (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone
PubChem CID1034804
Molecular FormulaC19H11ClFNOS
Molecular Weight355.82 g/mol
Exact Mass355.02
IUPAC Name(2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H11ClFNOS/c20-13-7-10-18-16(11-13)22(15-3-1-2-4-17(15)24-18)19(23)12-5-8-14(21)9-6-12/h1-11H
InChIKeyZIODYYPGCIHDBM-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 (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone (CID 1034804) is (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone?
The InChIKey is ZIODYYPGCIHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNOS/c20-13-7-10-18-16(11-13)22(15-3-1-2-4-17(15)24-18)19(23)12-5-8-14(21)9-6-12/h1-11H.
What are the key properties of (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone?
(2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone 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 (2-chlorophenothiazin-10-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 1034804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).