6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide

C15H21BrN2O4 — CID 69403663

IUPAC6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide
SMILESO=C(CCCCCBr)Nc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H21BrN2O4/c16-7-3-1-2-4-13(19)17-14-6-5-12(22-14)15(20)18-8-10-21-11-9-18/h5-6H,1-4,7-11H2,(H,17,19)
InChIKeyBLRDBQWPZUFRCV-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.65
Rot. Bonds7

About 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide

6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide (PubChem CID 69403663) has the molecular formula C15H21BrN2O4 and a molecular weight of 373.25 g/mol. Its IUPAC name is 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide.

Molecular Properties

Compound Name6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide
PubChem CID69403663
Molecular FormulaC15H21BrN2O4
Molecular Weight373.25 g/mol
Exact Mass372.07
IUPAC Name6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide
SMILESO=C(CCCCCBr)Nc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H21BrN2O4/c16-7-3-1-2-4-13(19)17-14-6-5-12(22-14)15(20)18-8-10-21-11-9-18/h5-6H,1-4,7-11H2,(H,17,19)
InChIKeyBLRDBQWPZUFRCV-UHFFFAOYSA-N
XLogP2.65
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

O-[6-[[5-(morpholine-4-carbonyl)furan-2-yl]amino]-6-oxohexyl] ethanethioate
CID 91027638
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62060856
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
5-[4-(morpholine-4-carbonyl)anilino]-5-oxopentanoate
CID 6953068
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
7-bromo-N-phenylheptanamide
CID 11266084

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide?
The IUPAC name of 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide (CID 69403663) is 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide.
What is the SMILES notation for 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide?
The canonical SMILES for 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide is O=C(CCCCCBr)Nc1ccc(C(=O)N2CCOCC2)o1.
What is the InChIKey of 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide?
The InChIKey is BLRDBQWPZUFRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4/c16-7-3-1-2-4-13(19)17-14-6-5-12(22-14)15(20)18-8-10-21-11-9-18/h5-6H,1-4,7-11H2,(H,17,19).
What are the key properties of 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide?
6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide has a molecular weight of 373.25 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[5-(morpholine-4-carbonyl)furan-2-yl]hexanamide is sourced from PubChem (CID 69403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).