2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C13H15F3N2O2 — CID 60841072

IUPAC2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CNC1CC1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-11-5-3-10(4-6-11)18-12(19)7-17-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19)
InChIKeyIEBIJRWPAFDJNQ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.32
Rot. Bonds6

About 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 60841072) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID60841072
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CNC1CC1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-11-5-3-10(4-6-11)18-12(19)7-17-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19)
InChIKeyIEBIJRWPAFDJNQ-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(4-ethoxyphenyl)acetamide;hydrochloride
CID 18778020
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075157
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132
N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide
CID 134010399
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 60841072) is 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(CNC1CC1)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is IEBIJRWPAFDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-11-5-3-10(4-6-11)18-12(19)7-17-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 60841072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).