2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide

C17H8Cl3F3N2O — CID 19592918

IUPAC2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc2c(Cl)ccnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H8Cl3F3N2O/c18-10-4-5-24-15-9(10)6-8(17(21,22)23)7-13(15)25-16(26)14-11(19)2-1-3-12(14)20/h1-7H,(H,25,26)
InChIKeyJPYXSYLXGFWCPC-UHFFFAOYSA-N
MW419.62 g/mol
LogP6.47
Rot. Bonds2

About 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide

2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide (PubChem CID 19592918) has the molecular formula C17H8Cl3F3N2O and a molecular weight of 419.62 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide
PubChem CID19592918
Molecular FormulaC17H8Cl3F3N2O
Molecular Weight419.62 g/mol
Exact Mass417.97
IUPAC Name2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc2c(Cl)ccnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H8Cl3F3N2O/c18-10-4-5-24-15-9(10)6-8(17(21,22)23)7-13(15)25-16(26)14-11(19)2-1-3-12(14)20/h1-7H,(H,25,26)
InChIKeyJPYXSYLXGFWCPC-UHFFFAOYSA-N
XLogP6.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.62
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide (CID 19592918) is 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide is O=C(Nc1cc(C(F)(F)F)cc2c(Cl)ccnc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide?
The InChIKey is JPYXSYLXGFWCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl3F3N2O/c18-10-4-5-24-15-9(10)6-8(17(21,22)23)7-13(15)25-16(26)14-11(19)2-1-3-12(14)20/h1-7H,(H,25,26).
What are the key properties of 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide?
2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide has a molecular weight of 419.62 g/mol, XLogP of 6.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-chloro-6-(trifluoromethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 19592918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).