N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide

C13H16F3NO2 — CID 112696057

IUPACN-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)COC(C)C
InChIInChI=1S/C13H16F3NO2/c1-8(2)19-7-12(18)17-11-6-10(13(14,15)16)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyXQXSLJWOFRTYKP-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.38
Rot. Bonds4

About N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide

N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 112696057) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID112696057
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)COC(C)C
InChIInChI=1S/C13H16F3NO2/c1-8(2)19-7-12(18)17-11-6-10(13(14,15)16)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyXQXSLJWOFRTYKP-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031876
N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601871
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide (CID 112696057) is N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide is Cc1ccc(C(F)(F)F)cc1NC(=O)COC(C)C.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is XQXSLJWOFRTYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(2)19-7-12(18)17-11-6-10(13(14,15)16)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide?
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 275.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112696057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).