2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H20F3N3O2 — CID 108994837

IUPAC2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)12-1-3-13(4-2-12)20-14(22)11-19-5-6-21-7-9-23-10-8-21/h1-4,19H,5-11H2,(H,20,22)
InChIKeyKFXSXOKZJNLHPN-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.57
Rot. Bonds6

About 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 108994837) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID108994837
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)12-1-3-13(4-2-12)20-14(22)11-19-5-6-21-7-9-23-10-8-21/h1-4,19H,5-11H2,(H,20,22)
InChIKeyKFXSXOKZJNLHPN-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3514571
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640
1-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46889204

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 108994837) is 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KFXSXOKZJNLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)12-1-3-13(4-2-12)20-14(22)11-19-5-6-21-7-9-23-10-8-21/h1-4,19H,5-11H2,(H,20,22).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108994837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).