N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride

C17H26Cl2FN3O3 — CID 119866007

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(c1cccc(F)c1)N1CCOCC1)C1CNCCO1
InChIInChI=1S/C17H24FN3O3.2ClH/c18-14-3-1-2-13(10-14)15(21-5-8-23-9-6-21)11-20-17(22)16-12-19-4-7-24-16;;/h1-3,10,15-16,19H,4-9,11-12H2,(H,20,22);2*1H
InChIKeyNPRXEXPWRXRPEA-UHFFFAOYSA-N
MW410.32 g/mol
LogP1.15
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119866007) has the molecular formula C17H26Cl2FN3O3 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119866007
Molecular FormulaC17H26Cl2FN3O3
Molecular Weight410.32 g/mol
Exact Mass409.13
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(c1cccc(F)c1)N1CCOCC1)C1CNCCO1
InChIInChI=1S/C17H24FN3O3.2ClH/c18-14-3-1-2-13(10-14)15(21-5-8-23-9-6-21)11-20-17(22)16-12-19-4-7-24-16;;/h1-3,10,15-16,19H,4-9,11-12H2,(H,20,22);2*1H
InChIKeyNPRXEXPWRXRPEA-UHFFFAOYSA-N
XLogP1.15
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
CID 119830971
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
N-(2-morpholin-4-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 119849919
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119865999
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-(2-morpholin-4-ylpropyl)morpholine-2-carboxamide
CID 119849920
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081658
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride (CID 119866007) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(c1cccc(F)c1)N1CCOCC1)C1CNCCO1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is NPRXEXPWRXRPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3.2ClH/c18-14-3-1-2-13(10-14)15(21-5-8-23-9-6-21)11-20-17(22)16-12-19-4-7-24-16;;/h1-3,10,15-16,19H,4-9,11-12H2,(H,20,22);2*1H.
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 410.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119866007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).