N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide

C14H18F3NO2 — CID 103843286

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
SMILESCCC(CC)(CO)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3NO2/c1-3-14(4-2,8-19)7-18-13(20)12-10(16)5-9(15)6-11(12)17/h5-6,19H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyRKLSGTLWCIHBQY-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.63
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide (PubChem CID 103843286) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
PubChem CID103843286
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
SMILESCCC(CC)(CO)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3NO2/c1-3-14(4-2,8-19)7-18-13(20)12-10(16)5-9(15)6-11(12)17/h5-6,19H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyRKLSGTLWCIHBQY-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
CID 103878793
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 70098730
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide (CID 103843286) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide is CCC(CC)(CO)CNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide?
The InChIKey is RKLSGTLWCIHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-14(4-2,8-19)7-18-13(20)12-10(16)5-9(15)6-11(12)17/h5-6,19H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide has a molecular weight of 289.30 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 103843286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).