2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

C17H12F6N2O2 — CID 108542423

IUPAC2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F6N2O2/c18-12-6-5-10(13(19)14(12)20)16(27)25-8-7-24-15(26)9-3-1-2-4-11(9)17(21,22)23/h1-6H,7-8H2,(H,24,26)(H,25,27)
InChIKeyKCBWKXVYQBXKNI-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.28
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 108542423) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
PubChem CID108542423
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F6N2O2/c18-12-6-5-10(13(19)14(12)20)16(27)25-8-7-24-15(26)9-3-1-2-4-11(9)17(21,22)23/h1-6H,7-8H2,(H,24,26)(H,25,27)
InChIKeyKCBWKXVYQBXKNI-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (CID 108542423) is 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is KCBWKXVYQBXKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-12-6-5-10(13(19)14(12)20)16(27)25-8-7-24-15(26)9-3-1-2-4-11(9)17(21,22)23/h1-6H,7-8H2,(H,24,26)(H,25,27).
What are the key properties of 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 390.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108542423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).