2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide

C15H21F3N2O2 — CID 178113817

IUPAC2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)C(c1ccc(N)cc1)C(F)(F)F)C(C)CO
InChIInChI=1S/C15H21F3N2O2/c1-3-8-20(10(2)9-21)14(22)13(15(16,17)18)11-4-6-12(19)7-5-11/h4-7,10,13,21H,3,8-9,19H2,1-2H3
InChIKeyGHZHBZPNWVCTIA-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide

2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide (PubChem CID 178113817) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide
PubChem CID178113817
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)C(c1ccc(N)cc1)C(F)(F)F)C(C)CO
InChIInChI=1S/C15H21F3N2O2/c1-3-8-20(10(2)9-21)14(22)13(15(16,17)18)11-4-6-12(19)7-5-11/h4-7,10,13,21H,3,8-9,19H2,1-2H3
InChIKeyGHZHBZPNWVCTIA-UHFFFAOYSA-N
XLogP2.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide (CID 178113817) is 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide is CCCN(C(=O)C(c1ccc(N)cc1)C(F)(F)F)C(C)CO.
What is the InChIKey of 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide?
The InChIKey is GHZHBZPNWVCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-8-20(10(2)9-21)14(22)13(15(16,17)18)11-4-6-12(19)7-5-11/h4-7,10,13,21H,3,8-9,19H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide?
2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide has a molecular weight of 318.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-propylpropanamide is sourced from PubChem (CID 178113817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).