4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide

C12H15F3N2O — CID 80542056

IUPAC4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(6-7-16)11(18)17-10-4-2-9(3-5-10)12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyVAASSKPRTPFECK-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide

4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 80542056) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID80542056
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(6-7-16)11(18)17-10-4-2-9(3-5-10)12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyVAASSKPRTPFECK-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide (CID 80542056) is 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide is CC(CCN)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is VAASSKPRTPFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(6-7-16)11(18)17-10-4-2-9(3-5-10)12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 260.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 80542056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).