N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide

C23H19F3N2O3 — CID 1188045

IUPACN-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O3/c1-15-6-2-4-8-19(15)28-22(30)16-10-12-17(13-11-16)31-14-21(29)27-20-9-5-3-7-18(20)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyQRLKGNWSIZKSKE-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.28
Rot. Bonds6

About N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide

N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 1188045) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID1188045
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O3/c1-15-6-2-4-8-19(15)28-22(30)16-10-12-17(13-11-16)31-14-21(29)27-20-9-5-3-7-18(20)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyQRLKGNWSIZKSKE-UHFFFAOYSA-N
XLogP5.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
N-cyclohexyl-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1182084
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 1179092
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N,N-diethyl-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 18837658
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide (CID 1188045) is N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide is Cc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is QRLKGNWSIZKSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-15-6-2-4-8-19(15)28-22(30)16-10-12-17(13-11-16)31-14-21(29)27-20-9-5-3-7-18(20)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 428.41 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 1188045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).