N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide

C14H18F3NO2 — CID 79380762

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-4-18(9-13(2,3)20)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-8,20H,4,9H2,1-3H3
InChIKeyJAPORIIFXIXBCU-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 79380762) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID79380762
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-4-18(9-13(2,3)20)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-8,20H,4,9H2,1-3H3
InChIKeyJAPORIIFXIXBCU-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
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N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
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N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
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N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide (CID 79380762) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide is CCN(CC(C)(C)O)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JAPORIIFXIXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-4-18(9-13(2,3)20)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-8,20H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79380762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).