3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride

C21H28Cl2FN3O2 — CID 120612741

IUPAC3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NCC(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H26FN3O2.2ClH/c22-18-6-3-5-17(14-18)20(25-10-12-27-13-11-25)15-24-21(26)9-8-16-4-1-2-7-19(16)23;;/h1-7,14,20H,8-13,15,23H2,(H,24,26);2*1H
InChIKeyQYWGCHVWCVHSGV-UHFFFAOYSA-N
MW444.38 g/mol
LogP3.37
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride (PubChem CID 120612741) has the molecular formula C21H28Cl2FN3O2 and a molecular weight of 444.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
PubChem CID120612741
Molecular FormulaC21H28Cl2FN3O2
Molecular Weight444.38 g/mol
Exact Mass443.15
IUPAC Name3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NCC(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H26FN3O2.2ClH/c22-18-6-3-5-17(14-18)20(25-10-12-27-13-11-25)15-24-21(26)9-8-16-4-1-2-7-19(16)23;;/h1-7,14,20H,8-13,15,23H2,(H,24,26);2*1H
InChIKeyQYWGCHVWCVHSGV-UHFFFAOYSA-N
XLogP3.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 53.37
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

7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51181050
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyphenyl)propanamide
CID 51334260
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 146131889
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride (CID 120612741) is 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)NCC(c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride?
The InChIKey is QYWGCHVWCVHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2.2ClH/c22-18-6-3-5-17(14-18)20(25-10-12-27-13-11-25)15-24-21(26)9-8-16-4-1-2-7-19(16)23;;/h1-7,14,20H,8-13,15,23H2,(H,24,26);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride has a molecular weight of 444.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).