2-(benzylamino)-5,5,5-trifluoropentanamide

C12H15F3N2O — CID 67121979

IUPAC2-(benzylamino)-5,5,5-trifluoropentanamide
SMILESNC(=O)C(CCC(F)(F)F)NCc1ccccc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)7-6-10(11(16)18)17-8-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H2,16,18)
InChIKeyQMQYCNVDERFZSK-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.97
Rot. Bonds6

About 2-(benzylamino)-5,5,5-trifluoropentanamide

2-(benzylamino)-5,5,5-trifluoropentanamide (PubChem CID 67121979) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(benzylamino)-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name2-(benzylamino)-5,5,5-trifluoropentanamide
PubChem CID67121979
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(benzylamino)-5,5,5-trifluoropentanamide
SMILESNC(=O)C(CCC(F)(F)F)NCc1ccccc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)7-6-10(11(16)18)17-8-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H2,16,18)
InChIKeyQMQYCNVDERFZSK-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(benzylamino)-4,4-dimethylpentanamide
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tert-butyl N-[4-amino-3-(benzylamino)-4-oxobutyl]carbamate
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2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
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methane;(2R)-5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;hydrochloride
CID 159943612
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
(2S)-2-(benzylamino)-N-methyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 174941177
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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5,5,5-trifluoropentanamide?
The IUPAC name of 2-(benzylamino)-5,5,5-trifluoropentanamide (CID 67121979) is 2-(benzylamino)-5,5,5-trifluoropentanamide.
What is the SMILES notation for 2-(benzylamino)-5,5,5-trifluoropentanamide?
The canonical SMILES for 2-(benzylamino)-5,5,5-trifluoropentanamide is NC(=O)C(CCC(F)(F)F)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5,5,5-trifluoropentanamide?
The InChIKey is QMQYCNVDERFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)7-6-10(11(16)18)17-8-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H2,16,18).
What are the key properties of 2-(benzylamino)-5,5,5-trifluoropentanamide?
2-(benzylamino)-5,5,5-trifluoropentanamide has a molecular weight of 260.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5,5,5-trifluoropentanamide is sourced from PubChem (CID 67121979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).