N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C23H18ClF3N2O3 — CID 1313623

IUPACN-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18ClF3N2O3/c1-14-18(24)9-5-10-19(14)29-22(31)17-8-2-3-11-20(17)32-13-21(30)28-16-7-4-6-15(12-16)23(25,26)27/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyTWWVTYPUMCAYKO-UHFFFAOYSA-N
MW462.86 g/mol
LogP5.94
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 1313623) has the molecular formula C23H18ClF3N2O3 and a molecular weight of 462.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID1313623
Molecular FormulaC23H18ClF3N2O3
Molecular Weight462.86 g/mol
Exact Mass462.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18ClF3N2O3/c1-14-18(24)9-5-10-19(14)29-22(31)17-8-2-3-11-20(17)32-13-21(30)28-16-7-4-6-15(12-16)23(25,26)27/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyTWWVTYPUMCAYKO-UHFFFAOYSA-N
XLogP5.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.86
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2472286
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4260548
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
(1,3-dioxoisoindol-2-yl)methyl 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4856332
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4559075
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 98399016
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 1313623) is N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is Cc1c(Cl)cccc1NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is TWWVTYPUMCAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O3/c1-14-18(24)9-5-10-19(14)29-22(31)17-8-2-3-11-20(17)32-13-21(30)28-16-7-4-6-15(12-16)23(25,26)27/h2-12H,13H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 462.86 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 1313623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).