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

C25H22ClN3O2S — CID 3218495

IUPAC2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1Cl
InChIInChI=1S/C25H22ClN3O2S/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)
InChIKeyBTUMIUCIIPZDME-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.96
Rot. Bonds2

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

2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide (PubChem CID 3218495) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide
PubChem CID3218495
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC Name2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1Cl
InChIInChI=1S/C25H22ClN3O2S/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)
InChIKeyBTUMIUCIIPZDME-UHFFFAOYSA-N
XLogP5.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide (CID 3218495) is 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is BTUMIUCIIPZDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/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-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide?
2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 463.99 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).