2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide

C12H11F5N2O2 — CID 78802712

IUPAC2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCC(F)(F)F
InChIInChI=1S/C12H11F5N2O2/c13-7-1-2-8(9(14)5-7)11(21)18-4-3-10(20)19-6-12(15,16)17/h1-2,5H,3-4,6H2,(H,18,21)(H,19,20)
InChIKeyDHWXPLQZPLTNPX-UHFFFAOYSA-N
MW310.22 g/mol
LogP1.76
Rot. Bonds5

About 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide

2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide (PubChem CID 78802712) has the molecular formula C12H11F5N2O2 and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
PubChem CID78802712
Molecular FormulaC12H11F5N2O2
Molecular Weight310.22 g/mol
Exact Mass310.07
IUPAC Name2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCC(F)(F)F
InChIInChI=1S/C12H11F5N2O2/c13-7-1-2-8(9(14)5-7)11(21)18-4-3-10(20)19-6-12(15,16)17/h1-2,5H,3-4,6H2,(H,18,21)(H,19,20)
InChIKeyDHWXPLQZPLTNPX-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide (CID 78802712) is 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCC(F)(F)F.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide?
The InChIKey is DHWXPLQZPLTNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O2/c13-7-1-2-8(9(14)5-7)11(21)18-4-3-10(20)19-6-12(15,16)17/h1-2,5H,3-4,6H2,(H,18,21)(H,19,20).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide has a molecular weight of 310.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide is sourced from PubChem (CID 78802712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).