5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide

C18H21BrN2O4 — CID 84559000

IUPAC5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CCN2CCOCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C18H21BrN2O4/c19-17-6-5-16(25-17)18(23)20-14-3-1-13(2-4-14)15(22)7-8-21-9-11-24-12-10-21/h1-6,15,22H,7-12H2,(H,20,23)
InChIKeyQEYZILJEKMGUKT-UHFFFAOYSA-N
MW409.28 g/mol
LogP3.05
Rot. Bonds6

About 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide (PubChem CID 84559000) has the molecular formula C18H21BrN2O4 and a molecular weight of 409.28 g/mol. Its IUPAC name is 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
PubChem CID84559000
Molecular FormulaC18H21BrN2O4
Molecular Weight409.28 g/mol
Exact Mass408.07
IUPAC Name5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CCN2CCOCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C18H21BrN2O4/c19-17-6-5-16(25-17)18(23)20-14-3-1-13(2-4-14)15(22)7-8-21-9-11-24-12-10-21/h1-6,15,22H,7-12H2,(H,20,23)
InChIKeyQEYZILJEKMGUKT-UHFFFAOYSA-N
XLogP3.05
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640
5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 112834585
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]oxolane-2-carboxamide
CID 84560052
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84558804
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84559932
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619
5-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18581271
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide (CID 84559000) is 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(O)CCN2CCOCC2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide?
The InChIKey is QEYZILJEKMGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4/c19-17-6-5-16(25-17)18(23)20-14-3-1-13(2-4-14)15(22)7-8-21-9-11-24-12-10-21/h1-6,15,22H,7-12H2,(H,20,23).
What are the key properties of 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide has a molecular weight of 409.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 84559000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).