N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide

C14H19F3N2O — CID 115496240

IUPACN-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
SMILESCC(NCCCCC(F)(F)F)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-11(18-10-6-5-9-14(15,16)17)13(20)19-12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3,(H,19,20)
InChIKeyONCOXNDLVCITKA-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.34
Rot. Bonds7

About N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide

N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide (PubChem CID 115496240) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide.

Molecular Properties

Compound NameN-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
PubChem CID115496240
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
SMILESCC(NCCCCC(F)(F)F)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-11(18-10-6-5-9-14(15,16)17)13(20)19-12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3,(H,19,20)
InChIKeyONCOXNDLVCITKA-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-phenyl-2-(2-phenylethylamino)propanamide
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2-(benzylamino)-N-phenylpropanamide
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2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
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2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide?
The IUPAC name of N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide (CID 115496240) is N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide.
What is the SMILES notation for N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide?
The canonical SMILES for N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide is CC(NCCCCC(F)(F)F)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide?
The InChIKey is ONCOXNDLVCITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-11(18-10-6-5-9-14(15,16)17)13(20)19-12-7-3-2-4-8-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide?
N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide has a molecular weight of 288.31 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide is sourced from PubChem (CID 115496240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).