N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide

C13H17F3N2O — CID 65190896

IUPACN-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)C(CN)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-8(2)11(7-17)18-12(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,8,11H,7,17H2,1-2H3,(H,18,19)
InChIKeyRLEJSHVDUYMEDR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.42
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide

N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 65190896) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID65190896
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)C(CN)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-8(2)11(7-17)18-12(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,8,11H,7,17H2,1-2H3,(H,18,19)
InChIKeyRLEJSHVDUYMEDR-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65191111
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 122162145
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethyl)benzamide
CID 61121266
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
3-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 24707245

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide (CID 65190896) is N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide is CC(C)C(CN)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is RLEJSHVDUYMEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8(2)11(7-17)18-12(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,8,11H,7,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide?
N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 274.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 65190896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).