3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide

C12H15F3N2O — CID 63228293

IUPAC3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESNc1ccc(CCC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)7-8-17-11(18)6-3-9-1-4-10(16)5-2-9/h1-2,4-5H,3,6-8,16H2,(H,17,18)
InChIKeyAVEGWNMRFKJPKU-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.27
Rot. Bonds5

About 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide

3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 63228293) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID63228293
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESNc1ccc(CCC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)7-8-17-11(18)6-3-9-1-4-10(16)5-2-9/h1-2,4-5H,3,6-8,16H2,(H,17,18)
InChIKeyAVEGWNMRFKJPKU-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
CID 119548642
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083
4-[3-(4-aminophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107836146
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
2-[3-(4-aminophenyl)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 115341579
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide (CID 63228293) is 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide is Nc1ccc(CCC(=O)NCCC(F)(F)F)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is AVEGWNMRFKJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)7-8-17-11(18)6-3-9-1-4-10(16)5-2-9/h1-2,4-5H,3,6-8,16H2,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide?
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 63228293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).