3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide

C12H15F3N2O — CID 63226653

IUPAC3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESNC(CC(=O)NCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-7-17-11(18)8-10(16)9-4-2-1-3-5-9/h1-5,10H,6-8,16H2,(H,17,18)
InChIKeyRGAOKPBTUQGHNL-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.15
Rot. Bonds5

About 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide

3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 63226653) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID63226653
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESNC(CC(=O)NCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-7-17-11(18)8-10(16)9-4-2-1-3-5-9/h1-5,10H,6-8,16H2,(H,17,18)
InChIKeyRGAOKPBTUQGHNL-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide (CID 63226653) is 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide is NC(CC(=O)NCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is RGAOKPBTUQGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)6-7-17-11(18)8-10(16)9-4-2-1-3-5-9/h1-5,10H,6-8,16H2,(H,17,18).
What are the key properties of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide?
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 63226653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).