N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide

C18H17F3N2OS — CID 10872250

IUPACN-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide
SMILESCC(=O)NCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H17F3N2OS/c1-12(24)22-9-4-10-23-14-5-2-3-6-16(14)25-17-8-7-13(11-15(17)23)18(19,20)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,24)
InChIKeyVDSDDOIKQFYIPK-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.83
Rot. Bonds4

About N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide

N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide (PubChem CID 10872250) has the molecular formula C18H17F3N2OS and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide
PubChem CID10872250
Molecular FormulaC18H17F3N2OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide
SMILESCC(=O)NCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H17F3N2OS/c1-12(24)22-9-4-10-23-14-5-2-3-6-16(14)25-17-8-7-13(11-15(17)23)18(19,20)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,24)
InChIKeyVDSDDOIKQFYIPK-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Trifluoperazine
CID 5566
Triflupromazine
CID 5568
Trifluoperazine Hydrochloride
CID 66064
10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-, monohydrochloride
CID 66069
2-(trifluoromethyl)-10H-phenothiazine
CID 7082
Fluoracizine
CID 161562
Etymemazine
CID 71823
NS6180
CID 11837221
Ftormetazine
CID 969494
Ftorpropazine
CID 219081
Trifluomeprazine
CID 72136
Fluoperazine
CID 2913535

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
The IUPAC name of N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide (CID 10872250) is N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
The canonical SMILES for N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide is CC(=O)NCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
The InChIKey is VDSDDOIKQFYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2OS/c1-12(24)22-9-4-10-23-14-5-2-3-6-16(14)25-17-8-7-13(11-15(17)23)18(19,20)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,24).
What are the key properties of N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide has a molecular weight of 366.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide is sourced from PubChem (CID 10872250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).