N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide

C16H21F3N2O2 — CID 108542412

IUPACN-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESCCC(CC)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-3-11(4-2)14(22)20-9-10-21-15(23)12-7-5-6-8-13(12)16(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCOWNDQGAMDFBAD-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 108542412) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID108542412
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESCCC(CC)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-3-11(4-2)14(22)20-9-10-21-15(23)12-7-5-6-8-13(12)16(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCOWNDQGAMDFBAD-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.99
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

ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108539901
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide (CID 108542412) is N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide is CCC(CC)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is COWNDQGAMDFBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-3-11(4-2)14(22)20-9-10-21-15(23)12-7-5-6-8-13(12)16(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108542412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).