2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide

C12H15F3N2O2 — CID 54892605

IUPAC2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCOc1ccc(C(C)(NCC(F)(F)F)C(N)=O)cc1
InChIInChI=1S/C12H15F3N2O2/c1-11(10(16)18,17-7-12(13,14)15)8-3-5-9(19-2)6-4-8/h3-6,17H,7H2,1-2H3,(H2,16,18)
InChIKeyXCPMBRDDFMSORV-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide

2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 54892605) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID54892605
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCOc1ccc(C(C)(NCC(F)(F)F)C(N)=O)cc1
InChIInChI=1S/C12H15F3N2O2/c1-11(10(16)18,17-7-12(13,14)15)8-3-5-9(19-2)6-4-8/h3-6,17H,7H2,1-2H3,(H2,16,18)
InChIKeyXCPMBRDDFMSORV-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2-(4-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997738
2-(4-propoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60998457
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanamide
CID 60797013
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 54892605) is 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide is COc1ccc(C(C)(NCC(F)(F)F)C(N)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is XCPMBRDDFMSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(10(16)18,17-7-12(13,14)15)8-3-5-9(19-2)6-4-8/h3-6,17H,7H2,1-2H3,(H2,16,18).
What are the key properties of 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 54892605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).