N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide

C18H11F8NO2 — CID 91731020

IUPACN-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C18H11F8NO2/c1-2-27(15(28)9-5-3-7-11(13(9)19)17(21,22)23)16(29)10-6-4-8-12(14(10)20)18(24,25)26/h3-8H,2H2,1H3
InChIKeyUXZCTADKKARAJF-UHFFFAOYSA-N
MW425.28 g/mol
LogP5.30
Rot. Bonds3

About N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide

N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide (PubChem CID 91731020) has the molecular formula C18H11F8NO2 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide
PubChem CID91731020
Molecular FormulaC18H11F8NO2
Molecular Weight425.28 g/mol
Exact Mass425.07
IUPAC NameN-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C18H11F8NO2/c1-2-27(15(28)9-5-3-7-11(13(9)19)17(21,22)23)16(29)10-6-4-8-12(14(10)20)18(24,25)26/h3-8H,2H2,1H3
InChIKeyUXZCTADKKARAJF-UHFFFAOYSA-N
XLogP5.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide (CID 91731020) is N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide is CCN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UXZCTADKKARAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F8NO2/c1-2-27(15(28)9-5-3-7-11(13(9)19)17(21,22)23)16(29)10-6-4-8-12(14(10)20)18(24,25)26/h3-8H,2H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide?
N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide has a molecular weight of 425.28 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91731020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).