2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide

C15H19ClF3NO2 — CID 75448583

IUPAC2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H19ClF3NO2/c1-14(2,3)8-12(15(17,18)19)20-13(22)6-9-4-5-10(21)7-11(9)16/h4-5,7,12,21H,6,8H2,1-3H3,(H,20,22)
InChIKeyXWEUFOJVCVFHJT-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide

2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide (PubChem CID 75448583) has the molecular formula C15H19ClF3NO2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
PubChem CID75448583
Molecular FormulaC15H19ClF3NO2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H19ClF3NO2/c1-14(2,3)8-12(15(17,18)19)20-13(22)6-9-4-5-10(21)7-11(9)16/h4-5,7,12,21H,6,8H2,1-3H3,(H,20,22)
InChIKeyXWEUFOJVCVFHJT-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide
CID 99795407
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
CID 174797793
tert-butyl N-[(2S)-1-amino-3-(2-chloro-4-hydroxyphenyl)propan-2-yl]carbamate
CID 139568859
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834
(2S)-2-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119361641
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 115734976
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
ethyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-hydroxy-2-(trifluoromethylsulfonyl)phenyl]propanoate
CID 57161815
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
1-O-amino 3-O-tert-butyl 2-[(2-chloro-4-hydroxyphenyl)methyl]propanedioate
CID 139561746

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide (CID 75448583) is 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide is CC(C)(C)CC(NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The InChIKey is XWEUFOJVCVFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO2/c1-14(2,3)8-12(15(17,18)19)20-13(22)6-9-4-5-10(21)7-11(9)16/h4-5,7,12,21H,6,8H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide has a molecular weight of 337.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxyphenyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide is sourced from PubChem (CID 75448583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).