N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide

C14H18F3NO2 — CID 65112295

IUPACN-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-13(20,4-2)9-18-12(19)10-5-7-11(8-6-10)14(15,16)17/h5-8,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyYFILZSHHILXTMB-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.99
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide

N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide (PubChem CID 65112295) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
PubChem CID65112295
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-13(20,4-2)9-18-12(19)10-5-7-11(8-6-10)14(15,16)17/h5-8,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyYFILZSHHILXTMB-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 48894809
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide
CID 142176997
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide (CID 65112295) is N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide is CCC(O)(CC)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide?
The InChIKey is YFILZSHHILXTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-13(20,4-2)9-18-12(19)10-5-7-11(8-6-10)14(15,16)17/h5-8,20H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide?
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 65112295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).