2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide

C25H22FN3O2S — CID 3218494

IUPAC2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F
InChIInChI=1S/C25H22FN3O2S/c26-19-8-2-1-7-18(19)24(30)27-17-13-15-28(16-14-17)25(31)29-20-9-3-5-11-22(20)32-23-12-6-4-10-21(23)29/h1-12,17H,13-16H2,(H,27,30)
InChIKeySRTIJFGIXUBGAF-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.44
Rot. Bonds2

About 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide

2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide (PubChem CID 3218494) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide
PubChem CID3218494
Molecular FormulaC25H22FN3O2S
Molecular Weight447.54 g/mol
Exact Mass447.14
IUPAC Name2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F
InChIInChI=1S/C25H22FN3O2S/c26-19-8-2-1-7-18(19)24(30)27-17-13-15-28(16-14-17)25(31)29-20-9-3-5-11-22(20)32-23-12-6-4-10-21(23)29/h1-12,17H,13-16H2,(H,27,30)
InChIKeySRTIJFGIXUBGAF-UHFFFAOYSA-N
XLogP5.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide (CID 3218494) is 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is SRTIJFGIXUBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2S/c26-19-8-2-1-7-18(19)24(30)27-17-13-15-28(16-14-17)25(31)29-20-9-3-5-11-22(20)32-23-12-6-4-10-21(23)29/h1-12,17H,13-16H2,(H,27,30).
What are the key properties of 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).