N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H13F3N2O3 — CID 103805332

IUPACN-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1cc(NC(=O)COCC(F)(F)F)ccc1N
InChIInChI=1S/C11H13F3N2O3/c1-18-9-4-7(2-3-8(9)15)16-10(17)5-19-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyQEYHZCPVUVWVDR-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.79
Rot. Bonds5

About N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103805332) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103805332
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1cc(NC(=O)COCC(F)(F)F)ccc1N
InChIInChI=1S/C11H13F3N2O3/c1-18-9-4-7(2-3-8(9)15)16-10(17)5-19-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyQEYHZCPVUVWVDR-UHFFFAOYSA-N
XLogP1.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
N-(4-amino-3-methoxyphenyl)but-3-enamide
CID 62677990
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
CID 60919077
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
CID 119949715
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
2-(4-amino-3-methoxyanilino)-3-methoxyprop-1-en-1-one
CID 89028387
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103805332) is N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is COc1cc(NC(=O)COCC(F)(F)F)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QEYHZCPVUVWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-18-9-4-7(2-3-8(9)15)16-10(17)5-19-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 278.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103805332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).