2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide

C22H18Cl2F3N3O — CID 24831161

IUPAC2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H18Cl2F3N3O/c23-17-3-1-2-16(20(17)24)21(31)29-14-7-10-30(11-8-14)19-6-9-28-18-12-13(22(25,26)27)4-5-15(18)19/h1-6,9,12,14H,7-8,10-11H2,(H,29,31)
InChIKeyIEYDVGSLKREOCA-UHFFFAOYSA-N
MW468.31 g/mol
LogP5.96
Rot. Bonds3

About 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide

2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide (PubChem CID 24831161) has the molecular formula C22H18Cl2F3N3O and a molecular weight of 468.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
PubChem CID24831161
Molecular FormulaC22H18Cl2F3N3O
Molecular Weight468.31 g/mol
Exact Mass467.08
IUPAC Name2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H18Cl2F3N3O/c23-17-3-1-2-16(20(17)24)21(31)29-14-7-10-30(11-8-14)19-6-9-28-18-12-13(22(25,26)27)4-5-15(18)19/h1-6,9,12,14H,7-8,10-11H2,(H,29,31)
InChIKeyIEYDVGSLKREOCA-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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide (CID 24831161) is 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is IEYDVGSLKREOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N3O/c23-17-3-1-2-16(20(17)24)21(31)29-14-7-10-30(11-8-14)19-6-9-28-18-12-13(22(25,26)27)4-5-15(18)19/h1-6,9,12,14H,7-8,10-11H2,(H,29,31).
What are the key properties of 2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-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-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24831161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).