N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide

C12H15F3N2O2 — CID 82789395

IUPACN-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide
SMILESNc1ccc(NC(=O)COCCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)6-1-7-19-8-11(18)17-10-4-2-9(16)3-5-10/h2-5H,1,6-8,16H2,(H,17,18)
InChIKeyOVMBICQOHSEURX-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.57
Rot. Bonds6

About N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide

N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide (PubChem CID 82789395) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide
PubChem CID82789395
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide
SMILESNc1ccc(NC(=O)COCCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)6-1-7-19-8-11(18)17-10-4-2-9(16)3-5-10/h2-5H,1,6-8,16H2,(H,17,18)
InChIKeyOVMBICQOHSEURX-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788195
N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82781335
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
CID 70069905
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
CID 60919077
N-(4-aminophenyl)-2-[(2-fluorophenyl)methoxy]acetamide
CID 63933863
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936159
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
CID 23971573
N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200083

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide (CID 82789395) is N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide is Nc1ccc(NC(=O)COCCCC(F)(F)F)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The InChIKey is OVMBICQOHSEURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)6-1-7-19-8-11(18)17-10-4-2-9(16)3-5-10/h2-5H,1,6-8,16H2,(H,17,18).
What are the key properties of N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide has a molecular weight of 276.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide is sourced from PubChem (CID 82789395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).