3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide

C14H14F6N2O — CID 137362430

IUPAC3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
SMILESNc1ccc(C(CC(=O)NC2CC2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H14F6N2O/c15-13(16,17)12(14(18,19)20,7-11(23)22-10-5-6-10)8-1-3-9(21)4-2-8/h1-4,10H,5-7,21H2,(H,22,23)
InChIKeyRNZQJERURITNQR-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.30
Rot. Bonds4

About 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide

3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide (PubChem CID 137362430) has the molecular formula C14H14F6N2O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
PubChem CID137362430
Molecular FormulaC14H14F6N2O
Molecular Weight340.27 g/mol
Exact Mass340.10
IUPAC Name3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
SMILESNc1ccc(C(CC(=O)NC2CC2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H14F6N2O/c15-13(16,17)12(14(18,19)20,7-11(23)22-10-5-6-10)8-1-3-9(21)4-2-8/h1-4,10H,5-7,21H2,(H,22,23)
InChIKeyRNZQJERURITNQR-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
CID 119701795
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
2-acetyl-N-[4-[4-(cyclopropylamino)-1,1,1-trifluoro-4-oxo-2-(trifluoromethyl)butan-2-yl]phenyl]-5-methylsulfinyl-1,3-dihydroisoindole-1-carboxamide
CID 142495500
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
1-[[4-[4-(cyclopropylamino)-1,1,1-trifluoro-4-oxo-2-(trifluoromethyl)butan-2-yl]phenyl]carbamoyl]-5-methylsulfonyl-1,3-dihydroisoindole-2-carboxylic acid
CID 146473813
CID 162610434
CID 162610434
N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
CID 80556915
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
CID 119750326
3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653225

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide (CID 137362430) is 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide is Nc1ccc(C(CC(=O)NC2CC2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The InChIKey is RNZQJERURITNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O/c15-13(16,17)12(14(18,19)20,7-11(23)22-10-5-6-10)8-1-3-9(21)4-2-8/h1-4,10H,5-7,21H2,(H,22,23).
What are the key properties of 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide has a molecular weight of 340.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-cyclopropyl-4,4,4-trifluoro-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 137362430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).