4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide

C20H25BrN2O3 — CID 78890905

IUPAC4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccccc2CN2CC(C)OC(C)C2)c1Br
InChIInChI=1S/C20H25BrN2O3/c1-12-9-23(10-13(2)25-12)11-16-7-5-6-8-17(16)22-20(24)18-14(3)26-15(4)19(18)21/h5-8,12-13H,9-11H2,1-4H3,(H,22,24)
InChIKeyZGPBVTWMZCWWPP-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.52
Rot. Bonds4

About 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 78890905) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID78890905
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccccc2CN2CC(C)OC(C)C2)c1Br
InChIInChI=1S/C20H25BrN2O3/c1-12-9-23(10-13(2)25-12)11-16-7-5-6-8-17(16)22-20(24)18-14(3)26-15(4)19(18)21/h5-8,12-13H,9-11H2,1-4H3,(H,22,24)
InChIKeyZGPBVTWMZCWWPP-UHFFFAOYSA-N
XLogP4.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119852920
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
CID 7454171
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55801175
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55801201
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide (CID 78890905) is 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccccc2CN2CC(C)OC(C)C2)c1Br.
What is the InChIKey of 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZGPBVTWMZCWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-12-9-23(10-13(2)25-12)11-16-7-5-6-8-17(16)22-20(24)18-14(3)26-15(4)19(18)21/h5-8,12-13H,9-11H2,1-4H3,(H,22,24).
What are the key properties of 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 421.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 78890905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).