2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide

C16H11F5N2O2 — CID 55529533

IUPAC2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F5N2O2/c17-10-4-5-12(13(18)7-10)15(25)22-8-14(24)23-11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2,(H,22,25)(H,23,24)
InChIKeyKZTLVEVUYABBSP-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.35
Rot. Bonds4

About 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 55529533) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID55529533
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC Name2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F5N2O2/c17-10-4-5-12(13(18)7-10)15(25)22-8-14(24)23-11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2,(H,22,25)(H,23,24)
InChIKeyKZTLVEVUYABBSP-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816347
N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 55869846
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
2,4-difluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264509
2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264564
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide
CID 91945715
CID 89006052
CID 89006052
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide (CID 55529533) is 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is KZTLVEVUYABBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c17-10-4-5-12(13(18)7-10)15(25)22-8-14(24)23-11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2,(H,22,25)(H,23,24).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 358.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 55529533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).