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

C16H19F3N2O2 — CID 86708274

IUPAC2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CC1CNCCO1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)15(22)21(10-12-9-20-6-7-23-12)14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14,20H,6-10H2/t12?,13-,14+/m0/s1
InChIKeyPLJPEKZJHJCQPJ-KFTPUPIBSA-N
MW328.33 g/mol
LogP1.92
Rot. Bonds4

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

2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 86708274) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID86708274
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CC1CNCCO1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)15(22)21(10-12-9-20-6-7-23-12)14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14,20H,6-10H2/t12?,13-,14+/m0/s1
InChIKeyPLJPEKZJHJCQPJ-KFTPUPIBSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;2,2,2-trifluoroacetic acid
CID 131743401
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297906
2-morpholin-2-yl-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 119709453
N-(azetidin-3-ylmethyl)-N-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]-2,2,2-trifluoroacetamide;ethane
CID 145400516
N-[(1-benzylpiperidin-4-yl)methyl]-2,2,2-trifluoro-N-[2-(4-iodophenyl)cyclopropyl]acetamide
CID 88962063
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 137422504
2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 172759348
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 155277847
N-[[4-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290147
2,2,2-trifluoro-N-[[4-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;hydrochloride
CID 118290291
N-[[4-[(3-cyanophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290175
2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 164737051

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 86708274) is 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is O=C(N(CC1CNCCO1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is PLJPEKZJHJCQPJ-KFTPUPIBSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)15(22)21(10-12-9-20-6-7-23-12)14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14,20H,6-10H2/t12?,13-,14+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 86708274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).