N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide

C9H8F3NO2 — CID 142776330

IUPACN-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(O)c(F)c1F
InChIInChI=1S/C9H8F3NO2/c1-4(14)13-3-5-2-6(10)9(15)8(12)7(5)11/h2,15H,3H2,1H3,(H,13,14)
InChIKeyLNJDMIXSEKKTAE-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.45
Rot. Bonds2

About N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide

N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide (PubChem CID 142776330) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
PubChem CID142776330
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC NameN-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(O)c(F)c1F
InChIInChI=1S/C9H8F3NO2/c1-4(14)13-3-5-2-6(10)9(15)8(12)7(5)11/h2,15H,3H2,1H3,(H,13,14)
InChIKeyLNJDMIXSEKKTAE-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-Acetyltyramine
CID 121051
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
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4-((Methylamino)methyl)phenol
CID 13104924
N-(4-hydroxybenzyl)icosa-5,8,11,14-tetraenamide
CID 10811495
(Z)-N-[2-(4-hydroxyphenyl)ethyl]-3-methyldodec-2-enamide
CID 21773786
N-[(4-hydroxyphenyl)methyl]acetamide
CID 458498
Yua001
CID 10421060
2,2,2-Trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 572282
N-[2-(4-Hydroxyphenyl)ethyl]butanamide
CID 17949580
N-Caproyl tyramine
CID 21446637
(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 10562830
N-[(4-Hydroxyphenyl)methyl]formamide
CID 44371268

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide (CID 142776330) is N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide is CC(=O)NCc1cc(F)c(O)c(F)c1F.
What is the InChIKey of N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide?
The InChIKey is LNJDMIXSEKKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4(14)13-3-5-2-6(10)9(15)8(12)7(5)11/h2,15H,3H2,1H3,(H,13,14).
What are the key properties of N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide?
N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide has a molecular weight of 219.16 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 142776330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).