N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide

C13H16F3NO2 — CID 110487486

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)(CO)CNC(=O)Cc1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-13(2,7-18)6-17-10(19)5-8-3-4-9(14)12(16)11(8)15/h3-4,18H,5-7H2,1-2H3,(H,17,19)
InChIKeyLJVKYLQJNUWWQL-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.78
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide

N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide (PubChem CID 110487486) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
PubChem CID110487486
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)(CO)CNC(=O)Cc1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-13(2,7-18)6-17-10(19)5-8-3-4-9(14)12(16)11(8)15/h3-4,18H,5-7H2,1-2H3,(H,17,19)
InChIKeyLJVKYLQJNUWWQL-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
N-(3-bromo-2,2-dimethylpropyl)-2,3,4-trifluorobenzamide
CID 115364841
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
N-cyclopropyl-2-(2,3,4-trifluorophenyl)acetamide
CID 110487434
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636
4-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-3-nitrobenzamide
CID 113293753
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide (CID 110487486) is N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide is CC(C)(CO)CNC(=O)Cc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is LJVKYLQJNUWWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-13(2,7-18)6-17-10(19)5-8-3-4-9(14)12(16)11(8)15/h3-4,18H,5-7H2,1-2H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide?
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 110487486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).