N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide

C20H12Cl2F6N2O2 — CID 4590286

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C20H12Cl2F6N2O2/c1-9-2-3-13-14(21)7-15(22)18(17(13)29-9)32-8-16(31)30-12-5-10(19(23,24)25)4-11(6-12)20(26,27)28/h2-7H,8H2,1H3,(H,30,31)
InChIKeyXPTWPHQQJRIZSS-UHFFFAOYSA-N
MW497.22 g/mol
LogP6.91
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide (PubChem CID 4590286) has the molecular formula C20H12Cl2F6N2O2 and a molecular weight of 497.22 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
PubChem CID4590286
Molecular FormulaC20H12Cl2F6N2O2
Molecular Weight497.22 g/mol
Exact Mass496.02
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C20H12Cl2F6N2O2/c1-9-2-3-13-14(21)7-15(22)18(17(13)29-9)32-8-16(31)30-12-5-10(19(23,24)25)4-11(6-12)20(26,27)28/h2-7H,8H2,1H3,(H,30,31)
InChIKeyXPTWPHQQJRIZSS-UHFFFAOYSA-N
XLogP6.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.22
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 7997855
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 23878377
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 2536958
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2-phenylacetamide
CID 16568919
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 2431077
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(ethylcarbamoyl)acetamide
CID 2628295
N-(cyclopropylmethyl)-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 30432553
1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
CID 62041878
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenoxyphenyl)acetamide
CID 23908018
[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 4595999

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide (CID 4590286) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The InChIKey is XPTWPHQQJRIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F6N2O2/c1-9-2-3-13-14(21)7-15(22)18(17(13)29-9)32-8-16(31)30-12-5-10(19(23,24)25)4-11(6-12)20(26,27)28/h2-7H,8H2,1H3,(H,30,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide has a molecular weight of 497.22 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 4590286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).