N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide

C16H12ClF3N2O3 — CID 46224736

IUPACN-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide
SMILESO=C(CONC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3N2O3/c17-12-5-7-13(8-6-12)21-14(23)9-25-22-15(24)10-1-3-11(4-2-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyVDRBZKDWTPWPOW-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide

N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide (PubChem CID 46224736) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide
PubChem CID46224736
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide
SMILESO=C(CONC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3N2O3/c17-12-5-7-13(8-6-12)21-14(23)9-25-22-15(24)10-1-3-11(4-2-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyVDRBZKDWTPWPOW-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009486
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-amino-4-chlorobenzoate
CID 7764978
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257992
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide (CID 46224736) is N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide is O=C(CONC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide?
The InChIKey is VDRBZKDWTPWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c17-12-5-7-13(8-6-12)21-14(23)9-25-22-15(24)10-1-3-11(4-2-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide?
N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide has a molecular weight of 372.73 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 46224736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).