3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide

C12H15F3N2O2 — CID 116628479

IUPAC3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
SMILESCC(C)N(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C12H15F3N2O2/c1-7(2)17(3)11(18)8-4-5-10(9(16)6-8)19-12(13,14)15/h4-7H,16H2,1-3H3
InChIKeyMGADFCQJMAMKQR-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.65
Rot. Bonds3

About 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide

3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide (PubChem CID 116628479) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
PubChem CID116628479
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
SMILESCC(C)N(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C12H15F3N2O2/c1-7(2)17(3)11(18)8-4-5-10(9(16)6-8)19-12(13,14)15/h4-7H,16H2,1-3H3
InChIKeyMGADFCQJMAMKQR-UHFFFAOYSA-N
XLogP2.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-N-propan-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-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628590
3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628550
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
CID 116628476
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-4-(trifluoromethoxy)benzamide
CID 103100896
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628865

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide (CID 116628479) is 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide is CC(C)N(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
The InChIKey is MGADFCQJMAMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)17(3)11(18)8-4-5-10(9(16)6-8)19-12(13,14)15/h4-7H,16H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide has a molecular weight of 276.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).