N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide

C20H12ClF3N2OS — CID 19916626

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H12ClF3N2OS/c21-13-10-9-12(20(22,23)24)11-14(13)25-19(27)26-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)26/h1-11H,(H,25,27)
InChIKeyVYKBAXQSVMRSOI-UHFFFAOYSA-N
MW420.84 g/mol
LogP7.19
Rot. Bonds1

About N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide (PubChem CID 19916626) has the molecular formula C20H12ClF3N2OS and a molecular weight of 420.84 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide
PubChem CID19916626
Molecular FormulaC20H12ClF3N2OS
Molecular Weight420.84 g/mol
Exact Mass420.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H12ClF3N2OS/c21-13-10-9-12(20(22,23)24)11-14(13)25-19(27)26-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)26/h1-11H,(H,25,27)
InChIKeyVYKBAXQSVMRSOI-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-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
CID 27184279
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
CID 599640
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-formylpiperazine-1-carboxamide
CID 108988628
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)acetamide
CID 112779384
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-5-yl)acetamide
CID 43954874
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164513
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide (CID 19916626) is N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide?
The InChIKey is VYKBAXQSVMRSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2OS/c21-13-10-9-12(20(22,23)24)11-14(13)25-19(27)26-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)26/h1-11H,(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]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-[2-chloro-5-(trifluoromethyl)phenyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 19916626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).