N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide

C15H20BrN3O3 — CID 119833788

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)C1CNCCO1
InChIInChI=1S/C15H20BrN3O3/c16-11-1-2-13(19-4-7-21-8-5-19)12(9-11)18-15(20)14-10-17-3-6-22-14/h1-2,9,14,17H,3-8,10H2,(H,18,20)
InChIKeyUZCODOKHAGYYEW-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.21
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide

N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide (PubChem CID 119833788) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
PubChem CID119833788
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)C1CNCCO1
InChIInChI=1S/C15H20BrN3O3/c16-11-1-2-13(19-4-7-21-8-5-19)12(9-11)18-15(20)14-10-17-3-6-22-14/h1-2,9,14,17H,3-8,10H2,(H,18,20)
InChIKeyUZCODOKHAGYYEW-UHFFFAOYSA-N
XLogP1.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833773
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride
CID 119706868
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide (CID 119833788) is N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide is O=C(Nc1cc(Br)ccc1N1CCOCC1)C1CNCCO1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide?
The InChIKey is UZCODOKHAGYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c16-11-1-2-13(19-4-7-21-8-5-19)12(9-11)18-15(20)14-10-17-3-6-22-14/h1-2,9,14,17H,3-8,10H2,(H,18,20).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide?
N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 119833788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).