N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H9Cl2F3N2O2 — CID 104786861

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H9Cl2F3N2O2/c11-6-1-5(2-7(12)9(6)19)17-8(18)3-16-4-10(13,14)15/h1-2,16,19H,3-4H2,(H,17,18)
InChIKeyNRIMWUKFEOBZOC-UHFFFAOYSA-N
MW317.09 g/mol
LogP2.79
Rot. Bonds4

About N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 104786861) has the molecular formula C10H9Cl2F3N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID104786861
Molecular FormulaC10H9Cl2F3N2O2
Molecular Weight317.09 g/mol
Exact Mass316.00
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H9Cl2F3N2O2/c11-6-1-5(2-7(12)9(6)19)17-8(18)3-16-4-10(13,14)15/h1-2,16,19H,3-4H2,(H,17,18)
InChIKeyNRIMWUKFEOBZOC-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103825492
N-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958059
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113457028
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958262
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106834745
N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybutanamide
CID 107681679
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 104786861) is N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is NRIMWUKFEOBZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3N2O2/c11-6-1-5(2-7(12)9(6)19)17-8(18)3-16-4-10(13,14)15/h1-2,16,19H,3-4H2,(H,17,18).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 317.09 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 104786861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).