2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride

C20H24Cl2F3N3O2 — CID 119946956

IUPAC2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C20H22F3N3O2.2ClH/c21-20(22,23)15-7-5-14(6-8-15)18(26-9-11-28-12-10-26)13-25-19(27)16-3-1-2-4-17(16)24;;/h1-8,18H,9-13,24H2,(H,25,27);2*1H
InChIKeyLISCSUZDPPHXIY-UHFFFAOYSA-N
MW466.33 g/mol
LogP3.93
Rot. Bonds5

About 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride

2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride (PubChem CID 119946956) has the molecular formula C20H24Cl2F3N3O2 and a molecular weight of 466.33 g/mol. Its IUPAC name is 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
PubChem CID119946956
Molecular FormulaC20H24Cl2F3N3O2
Molecular Weight466.33 g/mol
Exact Mass465.12
IUPAC Name2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C20H22F3N3O2.2ClH/c21-20(22,23)15-7-5-14(6-8-15)18(26-9-11-28-12-10-26)13-25-19(27)16-3-1-2-4-17(16)24;;/h1-8,18H,9-13,24H2,(H,25,27);2*1H
InChIKeyLISCSUZDPPHXIY-UHFFFAOYSA-N
XLogP3.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
CID 119946754
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 60615350
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
(2R)-2-methylsulfanyl-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511637
(2R)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511635
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride (CID 119946956) is 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride?
The InChIKey is LISCSUZDPPHXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.2ClH/c21-20(22,23)15-7-5-14(6-8-15)18(26-9-11-28-12-10-26)13-25-19(27)16-3-1-2-4-17(16)24;;/h1-8,18H,9-13,24H2,(H,25,27);2*1H.
What are the key properties of 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride?
2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride has a molecular weight of 466.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).