N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C21H23BrN2O4 — CID 86885690

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(C(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H23BrN2O4/c1-14(15-2-5-19-20(12-15)28-11-10-27-19)21(25)23-17-13-16(22)3-4-18(17)24-6-8-26-9-7-24/h2-5,12-14H,6-11H2,1H3,(H,23,25)
InChIKeyUTHJAHZFPXFRJV-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.80
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 86885690) has the molecular formula C21H23BrN2O4 and a molecular weight of 447.33 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID86885690
Molecular FormulaC21H23BrN2O4
Molecular Weight447.33 g/mol
Exact Mass446.08
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(C(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H23BrN2O4/c1-14(15-2-5-19-20(12-15)28-11-10-27-19)21(25)23-17-13-16(22)3-4-18(17)24-6-8-26-9-7-24/h2-5,12-14H,6-11H2,1H3,(H,23,25)
InChIKeyUTHJAHZFPXFRJV-UHFFFAOYSA-N
XLogP3.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
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CID 47109483
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
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N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
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2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
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N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
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N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
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2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 86885690) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(C(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is UTHJAHZFPXFRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4/c1-14(15-2-5-19-20(12-15)28-11-10-27-19)21(25)23-17-13-16(22)3-4-18(17)24-6-8-26-9-7-24/h2-5,12-14H,6-11H2,1H3,(H,23,25).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 447.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 86885690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).