N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C24H15F3N2O2 — CID 59710980

IUPACN-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=Cc1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)18-9-6-16(7-10-18)19-3-1-2-4-20(19)23(31)29-22-12-8-17-13-15(14-30)5-11-21(17)28-22/h1-14H,(H,28,29,31)
InChIKeyGEUDAHKMEGIOBE-UHFFFAOYSA-N
MW420.39 g/mol
LogP5.99
Rot. Bonds4

About N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 59710980) has the molecular formula C24H15F3N2O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID59710980
Molecular FormulaC24H15F3N2O2
Molecular Weight420.39 g/mol
Exact Mass420.11
IUPAC NameN-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=Cc1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)18-9-6-16(7-10-18)19-3-1-2-4-20(19)23(31)29-22-12-8-17-13-15(14-30)5-11-21(17)28-22/h1-14H,(H,28,29,31)
InChIKeyGEUDAHKMEGIOBE-UHFFFAOYSA-N
XLogP5.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048
methyl 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxylate
CID 59711001
N-[(1R)-1-(4-methylphenyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 59711004
methyl (2S)-2-phenyl-2-[[2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carbonyl]amino]acetate
CID 59710991
N-[(1S)-2-methoxy-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 160909901
N-[(1S)-2-(dibutylamino)-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 157208298
N-[2-[butyl(ethyl)amino]-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 154281432
N-[6-[[[(1S)-2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-methylamino]methyl]quinolin-2-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91510238
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
N-cyclopropyl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10140350

Frequently Asked Questions

What is the IUPAC name of N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 59710980) is N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is O=Cc1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GEUDAHKMEGIOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O2/c25-24(26,27)18-9-6-16(7-10-18)19-3-1-2-4-20(19)23(31)29-22-12-8-17-13-15(14-30)5-11-21(17)28-22/h1-14H,(H,28,29,31).
What are the key properties of N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 420.39 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formylquinolin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).