2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide

C13H16F3NO3 — CID 97240682

IUPAC2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@H](C)OCC(=O)Nc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-3-8(2)20-7-12(19)17-9-4-5-11(18)10(6-9)13(14,15)16/h4-6,8,18H,3,7H2,1-2H3,(H,17,19)/t8-/m0/s1
InChIKeyXOUOCQAKDKARIE-QMMMGPOBSA-N
MW291.27 g/mol
LogP3.16
Rot. Bonds5

About 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide

2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 97240682) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide
PubChem CID97240682
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@H](C)OCC(=O)Nc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-3-8(2)20-7-12(19)17-9-4-5-11(18)10(6-9)13(14,15)16/h4-6,8,18H,3,7H2,1-2H3,(H,17,19)/t8-/m0/s1
InChIKeyXOUOCQAKDKARIE-QMMMGPOBSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-butan-2-yloxyacetyl)amino]-2-chlorobenzoic acid
CID 120515666
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 114873414
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 1185679
(3R)-3-methoxy-N-[4-nitro-3-(trifluoromethyl)phenyl]butanamide
CID 97349755
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 8018923
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide (CID 97240682) is 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide is CC[C@H](C)OCC(=O)Nc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XOUOCQAKDKARIE-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-3-8(2)20-7-12(19)17-9-4-5-11(18)10(6-9)13(14,15)16/h4-6,8,18H,3,7H2,1-2H3,(H,17,19)/t8-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide?
2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]oxy-N-[4-hydroxy-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 97240682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).