N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide

C20H12ClF3N2OS — CID 27184279

IUPACN-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H12ClF3N2OS/c21-13-4-3-5-14(11-13)25-19(27)26-15-6-1-2-7-17(15)28-18-9-8-12(10-16(18)26)20(22,23)24/h1-11H,(H,25,27)
InChIKeyOPOLJESQDHJFBC-UHFFFAOYSA-N
MW420.84 g/mol
LogP7.19
Rot. Bonds1

About N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide

N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide (PubChem CID 27184279) has the molecular formula C20H12ClF3N2OS and a molecular weight of 420.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
PubChem CID27184279
Molecular FormulaC20H12ClF3N2OS
Molecular Weight420.84 g/mol
Exact Mass420.03
IUPAC NameN-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H12ClF3N2OS/c21-13-4-3-5-14(11-13)25-19(27)26-15-6-1-2-7-17(15)28-18-9-8-12(10-16(18)26)20(22,23)24/h1-11H,(H,25,27)
InChIKeyOPOLJESQDHJFBC-UHFFFAOYSA-N
XLogP7.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.84
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide
CID 19916626
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CID 154359839
2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
CID 599640
3-phenyl-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one
CID 2857001
[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl] nitrate
CID 90480433
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
CID 56923247
diethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium chloride
CID 43834220
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
2-(4-hydroxypiperidin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1114039
N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
CID 46090676

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide (CID 27184279) is N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide is O=C(Nc1cccc(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide?
The InChIKey is OPOLJESQDHJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2OS/c21-13-4-3-5-14(11-13)25-19(27)26-15-6-1-2-7-17(15)28-18-9-8-12(10-16(18)26)20(22,23)24/h1-11H,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide?
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide has a molecular weight of 420.84 g/mol, XLogP of 7.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 27184279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).