N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C19H19BrN2O3 — CID 55582875

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H19BrN2O3/c20-15-2-3-17(22-6-9-24-10-7-22)16(12-15)21-19(23)14-1-4-18-13(11-14)5-8-25-18/h1-4,11-12H,5-10H2,(H,21,23)
InChIKeyCJTRZPGAGMKOOC-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.47
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 55582875) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID55582875
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H19BrN2O3/c20-15-2-3-17(22-6-9-24-10-7-22)16(12-15)21-19(23)14-1-4-18-13(11-14)5-8-25-18/h1-4,11-12H,5-10H2,(H,21,23)
InChIKeyCJTRZPGAGMKOOC-UHFFFAOYSA-N
XLogP3.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
1-N-(5-bromo-2-morpholin-4-ylphenyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167967581
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55363787
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 86885690
N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407073
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 55582875) is N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is CJTRZPGAGMKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-15-2-3-17(22-6-9-24-10-7-22)16(12-15)21-19(23)14-1-4-18-13(11-14)5-8-25-18/h1-4,11-12H,5-10H2,(H,21,23).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 55582875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).