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

C19H19F3N2OS — CID 91748188

IUPACN-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide
SMILESCC(=O)N(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H19F3N2OS/c1-13(25)23(2)10-5-11-24-15-6-3-4-7-17(15)26-18-9-8-14(12-16(18)24)19(20,21)22/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyXPSDEXXSOQHANR-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.18
Rot. Bonds4

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

N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide (PubChem CID 91748188) has the molecular formula C19H19F3N2OS and a molecular weight of 380.44 g/mol. Its IUPAC name is N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide
PubChem CID91748188
Molecular FormulaC19H19F3N2OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide
SMILESCC(=O)N(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H19F3N2OS/c1-13(25)23(2)10-5-11-24-15-6-3-4-7-17(15)26-18-9-8-14(12-16(18)24)19(20,21)22/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyXPSDEXXSOQHANR-UHFFFAOYSA-N
XLogP5.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
The IUPAC name of N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide (CID 91748188) is N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide is CC(=O)N(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
The InChIKey is XPSDEXXSOQHANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2OS/c1-13(25)23(2)10-5-11-24-15-6-3-4-7-17(15)26-18-9-8-14(12-16(18)24)19(20,21)22/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide?
N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]acetamide is sourced from PubChem (CID 91748188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).