2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C23H14F3IN2O2 — CID 135066631

IUPAC2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Oc1cccc(I)c1
InChIInChI=1S/C23H14F3IN2O2/c24-23(25,26)15-9-10-20(31-17-7-2-6-16(27)13-17)18(12-15)22(30)29-19-8-1-4-14-5-3-11-28-21(14)19/h1-13H,(H,29,30)
InChIKeyJCBUQDHAFXDBEA-UHFFFAOYSA-N
MW534.28 g/mol
LogP6.90
Rot. Bonds4

About 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 135066631) has the molecular formula C23H14F3IN2O2 and a molecular weight of 534.28 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID135066631
Molecular FormulaC23H14F3IN2O2
Molecular Weight534.28 g/mol
Exact Mass534.01
IUPAC Name2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Oc1cccc(I)c1
InChIInChI=1S/C23H14F3IN2O2/c24-23(25,26)15-9-10-20(31-17-7-2-6-16(27)13-17)18(12-15)22(30)29-19-8-1-4-14-5-3-11-28-21(14)19/h1-13H,(H,29,30)
InChIKeyJCBUQDHAFXDBEA-UHFFFAOYSA-N
XLogP6.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.28
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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
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
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
5-Fluoro-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 68107702
2-[(Phenylmethyl)oxy]-N-3-pyridinyl-5-(4-pyridinyl)benzamide
CID 69936458
N-[(S)-[4-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 89310581
4-propan-2-yloxy-N-quinolin-8-ylbenzamide
CID 836753

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 135066631) is 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Oc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is JCBUQDHAFXDBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3IN2O2/c24-23(25,26)15-9-10-20(31-17-7-2-6-16(27)13-17)18(12-15)22(30)29-19-8-1-4-14-5-3-11-28-21(14)19/h1-13H,(H,29,30).
What are the key properties of 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 534.28 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 135066631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).