N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride

C15H24Cl2FN3O2 — CID 119830916

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1COCCN1)c1cccc(F)c1.Cl.Cl
InChIInChI=1S/C15H22FN3O2.2ClH/c1-19(2)14(11-4-3-5-12(16)8-11)9-18-15(20)13-10-21-7-6-17-13;;/h3-5,8,13-14,17H,6-7,9-10H2,1-2H3,(H,18,20);2*1H
InChIKeyJFPNZWARLWEIOE-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119830916) has the molecular formula C15H24Cl2FN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119830916
Molecular FormulaC15H24Cl2FN3O2
Molecular Weight368.28 g/mol
Exact Mass367.12
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1COCCN1)c1cccc(F)c1.Cl.Cl
InChIInChI=1S/C15H22FN3O2.2ClH/c1-19(2)14(11-4-3-5-12(16)8-11)9-18-15(20)13-10-21-7-6-17-13;;/h3-5,8,13-14,17H,6-7,9-10H2,1-2H3,(H,18,20);2*1H
InChIKeyJFPNZWARLWEIOE-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937953
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
CID 119830971
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39956758
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119831374
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
CID 119899958
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
(3R)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 124588211
N-[2-(2-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119804849

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride (CID 119830916) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride is CN(C)C(CNC(=O)C1COCCN1)c1cccc(F)c1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is JFPNZWARLWEIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2.2ClH/c1-19(2)14(11-4-3-5-12(16)8-11)9-18-15(20)13-10-21-7-6-17-13;;/h3-5,8,13-14,17H,6-7,9-10H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 368.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119830916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).