N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide

C24H14F6N2O2 — CID 135067840

IUPACN-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H14F6N2O2/c25-23(26,27)15-6-2-7-17(12-15)34-20-10-9-16(24(28,29)30)13-18(20)22(33)32-19-8-1-4-14-5-3-11-31-21(14)19/h1-13H,(H,32,33)
InChIKeyFZPQCXJVPOJCAH-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.32
Rot. Bonds4

About N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide

N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 135067840) has the molecular formula C24H14F6N2O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID135067840
Molecular FormulaC24H14F6N2O2
Molecular Weight476.38 g/mol
Exact Mass476.10
IUPAC NameN-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H14F6N2O2/c25-23(26,27)15-6-2-7-17(12-15)34-20-10-9-16(24(28,29)30)13-18(20)22(33)32-19-8-1-4-14-5-3-11-31-21(14)19/h1-13H,(H,32,33)
InChIKeyFZPQCXJVPOJCAH-UHFFFAOYSA-N
XLogP7.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ibcasertib
CID 49779393
Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
N-(8-quinolinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 834644
4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide
CID 877405
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
2-phenoxy-N-pyridin-3-ylbenzamide
CID 876892
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 44511358
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-4-nitro-3-(trifluoromethyl)benzamide
CID 44511359

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide (CID 135067840) is N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is FZPQCXJVPOJCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O2/c25-23(26,27)15-6-2-7-17(12-15)34-20-10-9-16(24(28,29)30)13-18(20)22(33)32-19-8-1-4-14-5-3-11-31-21(14)19/h1-13H,(H,32,33).
What are the key properties of N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 476.38 g/mol, XLogP of 7.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 135067840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).