N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

C17H12F6N2O3 — CID 46224734

IUPACN-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1
InChIInChI=1S/C17H12F6N2O3/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)15(27)25-28-9-14(26)24-13-4-2-1-3-5-13/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyCUKRXEVBRUFUQC-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.02
Rot. Bonds5

About N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46224734) has the molecular formula C17H12F6N2O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
PubChem CID46224734
Molecular FormulaC17H12F6N2O3
Molecular Weight406.28 g/mol
Exact Mass406.08
IUPAC NameN-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1
InChIInChI=1S/C17H12F6N2O3/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)15(27)25-28-9-14(26)24-13-4-2-1-3-5-13/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyCUKRXEVBRUFUQC-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide (CID 46224734) is N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide is O=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is CUKRXEVBRUFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O3/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)15(27)25-28-9-14(26)24-13-4-2-1-3-5-13/h1-8H,9H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide?
N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 406.28 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46224734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).