N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride

C15H22Cl2FN3O3 — CID 119871805

IUPACN-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cc(F)cc(N2CCOCC2)c1)C1CNCCO1
InChIInChI=1S/C15H20FN3O3.2ClH/c16-11-7-12(18-15(20)14-10-17-1-4-22-14)9-13(8-11)19-2-5-21-6-3-19;;/h7-9,14,17H,1-6,10H2,(H,18,20);2*1H
InChIKeyPLDRSUOFTWCLLC-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.43
Rot. Bonds3

About N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride

N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 119871805) has the molecular formula C15H22Cl2FN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
PubChem CID119871805
Molecular FormulaC15H22Cl2FN3O3
Molecular Weight382.26 g/mol
Exact Mass381.10
IUPAC NameN-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cc(F)cc(N2CCOCC2)c1)C1CNCCO1
InChIInChI=1S/C15H20FN3O3.2ClH/c16-11-7-12(18-15(20)14-10-17-1-4-22-14)9-13(8-11)19-2-5-21-6-3-19;;/h7-9,14,17H,1-6,10H2,(H,18,20);2*1H
InChIKeyPLDRSUOFTWCLLC-UHFFFAOYSA-N
XLogP1.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964
N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide
CID 107335167
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119679004
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
CID 119833487
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871807
N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
CID 119833788
dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119673723
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride (CID 119871805) is N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cc(F)cc(N2CCOCC2)c1)C1CNCCO1.
What is the InChIKey of N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is PLDRSUOFTWCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3.2ClH/c16-11-7-12(18-15(20)14-10-17-1-4-22-14)9-13(8-11)19-2-5-21-6-3-19;;/h7-9,14,17H,1-6,10H2,(H,18,20);2*1H.
What are the key properties of N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride?
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 382.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119871805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).