N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C14H18F3NO2 — CID 65114973

IUPACN-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C)(O)CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-13(2,20)9-18-12(19)8-10-4-6-11(7-5-10)14(15,16)17/h4-7,20H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyXWCSZHRPGBRWPZ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.53
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 65114973) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID65114973
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C)(O)CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-13(2,20)9-18-12(19)8-10-4-6-11(7-5-10)14(15,16)17/h4-7,20H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyXWCSZHRPGBRWPZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 95987114
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
N-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 65114973) is N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CCC(C)(O)CNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XWCSZHRPGBRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-13(2,20)9-18-12(19)8-10-4-6-11(7-5-10)14(15,16)17/h4-7,20H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 65114973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).