3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride

C13H20Cl2F3N3O — CID 120503282

IUPAC3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1NCC(F)(F)F.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-8(9(2)17)12(20)19-11-6-4-3-5-10(11)18-7-13(14,15)16;;/h3-6,8-9,18H,7,17H2,1-2H3,(H,19,20);2*1H
InChIKeyCEVIESKIJQWJIL-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.43
Rot. Bonds5

About 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride

3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride (PubChem CID 120503282) has the molecular formula C13H20Cl2F3N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
PubChem CID120503282
Molecular FormulaC13H20Cl2F3N3O
Molecular Weight362.22 g/mol
Exact Mass361.09
IUPAC Name3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1NCC(F)(F)F.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-8(9(2)17)12(20)19-11-6-4-3-5-10(11)18-7-13(14,15)16;;/h3-6,8-9,18H,7,17H2,1-2H3,(H,19,20);2*1H
InChIKeyCEVIESKIJQWJIL-UHFFFAOYSA-N
XLogP3.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide
CID 119861596
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide;dihydrochloride
CID 120503561
(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
CID 119343988
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
3-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylbutanamide
CID 120500378
3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide
CID 120500430
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride (CID 120503282) is 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccccc1NCC(F)(F)F.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride?
The InChIKey is CEVIESKIJQWJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.2ClH/c1-8(9(2)17)12(20)19-11-6-4-3-5-10(11)18-7-13(14,15)16;;/h3-6,8-9,18H,7,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride?
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride has a molecular weight of 362.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 120503282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).