3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide

C13H17F3N2O3 — CID 116628870

IUPAC3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCCC(COC)NC(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C13H17F3N2O3/c1-3-9(7-20-2)18-12(19)8-4-5-11(10(17)6-8)21-13(14,15)16/h4-6,9H,3,7,17H2,1-2H3,(H,18,19)
InChIKeyGAURSOJZSUEBRG-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.32
Rot. Bonds6

About 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide

3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 116628870) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID116628870
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCCC(COC)NC(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C13H17F3N2O3/c1-3-9(7-20-2)18-12(19)8-4-5-11(10(17)6-8)21-13(14,15)16/h4-6,9H,3,7,17H2,1-2H3,(H,18,19)
InChIKeyGAURSOJZSUEBRG-UHFFFAOYSA-N
XLogP2.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628865
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide (CID 116628870) is 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide is CCC(COC)NC(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is GAURSOJZSUEBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-3-9(7-20-2)18-12(19)8-4-5-11(10(17)6-8)21-13(14,15)16/h4-6,9H,3,7,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 306.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).