2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide

C14H17F3N2O2 — CID 56872369

IUPAC2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-1-2-10(6-11)7-12-8-19(4-5-21-12)9-13(18)20/h1-3,6,12H,4-5,7-9H2,(H2,18,20)
InChIKeyTXBIYECJSDFBAN-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide

2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide (PubChem CID 56872369) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide
PubChem CID56872369
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-1-2-10(6-11)7-12-8-19(4-5-21-12)9-13(18)20/h1-3,6,12H,4-5,7-9H2,(H2,18,20)
InChIKeyTXBIYECJSDFBAN-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
1-(2-Oxo-2-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}ethyl)-2-pyrrolidinone
CID 45174730
4-[2-(3-Fluorobenzyl)-4-morpholinyl]-4-oxobutanamide
CID 45185870
1-(2-Oxo-2-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}ethyl)-2-piperidinone
CID 45206577
N-allyl-2-[3-(trifluoromethyl)benzyl]-4-morpholinecarboxamide
CID 45251234
N,N-diethyl-2-[2-(4-fluorobenzyl)-4-morpholinyl]-2-oxoethanamine
CID 45183365
1-({2-[3-(Trifluoromethyl)benzyl]-4-morpholinyl}carbonyl)cyclopropanecarboxamide
CID 45196814
4-(4-Piperidinylmethyl)-2-[3-(trifluoromethyl)benzyl]morpholine
CID 56876001
2-[2-[2-(Trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 75501661
N,N-dimethyl-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
CID 75521546
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95554015
(R)-2-(4-fluoro-3-trifluoromethylbenzyl)morpholine
CID 11543494

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide (CID 56872369) is 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide is NC(=O)CN1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide?
The InChIKey is TXBIYECJSDFBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-1-2-10(6-11)7-12-8-19(4-5-21-12)9-13(18)20/h1-3,6,12H,4-5,7-9H2,(H2,18,20).
What are the key properties of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide?
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 56872369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).