N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide

C15H19F3N2O — CID 115672845

IUPACN-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
SMILESCC(NC(C)c1ccccc1C(F)(F)F)C(=O)NC1CC1
InChIInChI=1S/C15H19F3N2O/c1-9(19-10(2)14(21)20-11-7-8-11)12-5-3-4-6-13(12)15(16,17)18/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyZGUSJMUHMFRQEN-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide

N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide (PubChem CID 115672845) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
PubChem CID115672845
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
SMILESCC(NC(C)c1ccccc1C(F)(F)F)C(=O)NC1CC1
InChIInChI=1S/C15H19F3N2O/c1-9(19-10(2)14(21)20-11-7-8-11)12-5-3-4-6-13(12)15(16,17)18/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21)
InChIKeyZGUSJMUHMFRQEN-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 55048150
1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 71920819
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797
methyl (2S)-3-methyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]butanoate
CID 43452194
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide (CID 115672845) is N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide is CC(NC(C)c1ccccc1C(F)(F)F)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide?
The InChIKey is ZGUSJMUHMFRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9(19-10(2)14(21)20-11-7-8-11)12-5-3-4-6-13(12)15(16,17)18/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide?
N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide has a molecular weight of 300.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide is sourced from PubChem (CID 115672845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).