N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C15H17F3N2O — CID 118290458

IUPACN-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CC1CNC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)14(21)20(9-10-7-19-8-10)13-6-12(13)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2/t12-,13+/m0/s1
InChIKeyTYQFQZSEBMXQGW-QWHCGFSZSA-N
MW298.31 g/mol
LogP2.15
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 118290458) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID118290458
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CC1CNC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)14(21)20(9-10-7-19-8-10)13-6-12(13)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2/t12-,13+/m0/s1
InChIKeyTYQFQZSEBMXQGW-QWHCGFSZSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514
cis-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylacetamide
CID 53317575
(R)-1-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)ethanone
CID 53317581
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethylacetamide
CID 53320181
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-(4,4,4-trifluorobutyl)acetamide
CID 53326713
1-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 156017190
N-(1-benzylpropyl)cyclopropanecarboxamide
CID 2975078
N-[(1S,2R)-2-phenylcyclopropyl]acetamide
CID 657469
N-cyclopropyl-2-[(2-phenylcyclopropyl)amino]acetamide
CID 56673911
2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylpropyl)butanamide
CID 3302287
N-Trifluoroacetyl amphetamine
CID 530398

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 118290458) is N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is O=C(N(CC1CNC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is TYQFQZSEBMXQGW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)14(21)20(9-10-7-19-8-10)13-6-12(13)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2/t12-,13+/m0/s1.
What are the key properties of N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 298.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 118290458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).