N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide

C12H10F6N2O2 — CID 108537709

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F6N2O2/c13-11(14,15)8-3-1-7(2-4-8)9(21)19-5-6-20-10(22)12(16,17)18/h1-4H,5-6H2,(H,19,21)(H,20,22)
InChIKeyBIIICSHFGPEDGM-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.11
Rot. Bonds4

About N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 108537709) has the molecular formula C12H10F6N2O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID108537709
Molecular FormulaC12H10F6N2O2
Molecular Weight328.21 g/mol
Exact Mass328.06
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F6N2O2/c13-11(14,15)8-3-1-7(2-4-8)9(21)19-5-6-20-10(22)12(16,17)18/h1-4H,5-6H2,(H,19,21)(H,20,22)
InChIKeyBIIICSHFGPEDGM-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
CID 108934864
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734
4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110907156
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 18723380
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 108537709) is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCNC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BIIICSHFGPEDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O2/c13-11(14,15)8-3-1-7(2-4-8)9(21)19-5-6-20-10(22)12(16,17)18/h1-4H,5-6H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 328.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108537709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).