2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide

C22H18Cl2F3N3O — CID 68879893

IUPAC2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2nccc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H18Cl2F3N3O/c23-18-6-2-4-16(19(18)24)21(31)29-13-8-11-30(12-9-13)20-15-3-1-5-17(22(25,26)27)14(15)7-10-28-20/h1-7,10,13H,8-9,11-12H2,(H,29,31)
InChIKeyACSUMXDYBUAWIM-UHFFFAOYSA-N
MW468.31 g/mol
LogP5.96
Rot. Bonds3

About 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide

2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide (PubChem CID 68879893) has the molecular formula C22H18Cl2F3N3O and a molecular weight of 468.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
PubChem CID68879893
Molecular FormulaC22H18Cl2F3N3O
Molecular Weight468.31 g/mol
Exact Mass467.08
IUPAC Name2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2nccc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H18Cl2F3N3O/c23-18-6-2-4-16(19(18)24)21(31)29-13-8-11-30(12-9-13)20-15-3-1-5-17(22(25,26)27)14(15)7-10-28-20/h1-7,10,13H,8-9,11-12H2,(H,29,31)
InChIKeyACSUMXDYBUAWIM-UHFFFAOYSA-N
XLogP5.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.31
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]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

Related Compounds

2,3-dichloro-N-[1-[7-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 68878574
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide;2,3-dichloro-N-[1-[6-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 161483146
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
CID 24831481
2,3-dichloro-N-[1-(6-cyanoisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 68879436
N-[1-(6-bromoisoquinolin-1-yl)piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(6-fluoroisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 87610744
benzene;2,3-dichloro-N-[1-(3-ethynylisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 87610883
N-[1-[5,7-bis(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 87611673
2,3-dichloro-N-[1-(6-cyanoisoquinolin-1-yl)piperidin-4-yl]benzamide;2,3-dichloro-N-[1-(6-methoxyisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 68879985
N-[1-(7-bromoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(8-chloroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 161021022
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
CID 68879453
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2-fluorobenzamide
CID 68880991
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide (CID 68879893) is 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2nccc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide?
The InChIKey is ACSUMXDYBUAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N3O/c23-18-6-2-4-16(19(18)24)21(31)29-13-8-11-30(12-9-13)20-15-3-1-5-17(22(25,26)27)14(15)7-10-28-20/h1-7,10,13H,8-9,11-12H2,(H,29,31).
What are the key properties of 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide?
2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide has a molecular weight of 468.31 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 68879893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).