N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide

C10H14BrNO3 — CID 106307618

IUPACN-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOCCBr)c1ccco1
InChIInChI=1S/C10H14BrNO3/c11-4-8-14-6-2-5-12-10(13)9-3-1-7-15-9/h1,3,7H,2,4-6,8H2,(H,12,13)
InChIKeyIOZPAMFMEYCGSS-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.81
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide

N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide (PubChem CID 106307618) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
PubChem CID106307618
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC NameN-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOCCBr)c1ccco1
InChIInChI=1S/C10H14BrNO3/c11-4-8-14-6-2-5-12-10(13)9-3-1-7-15-9/h1,3,7H,2,4-6,8H2,(H,12,13)
InChIKeyIOZPAMFMEYCGSS-UHFFFAOYSA-N
XLogP1.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[3-(2-bromoethoxy)propyl]-2-ethylfuran-3-carboxamide
CID 106307543
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151
N-pent-4-ynylfuran-2-carboxamide
CID 103708847

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide (CID 106307618) is N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide is O=C(NCCCOCCBr)c1ccco1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide?
The InChIKey is IOZPAMFMEYCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c11-4-8-14-6-2-5-12-10(13)9-3-1-7-15-9/h1,3,7H,2,4-6,8H2,(H,12,13).
What are the key properties of N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide?
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide is sourced from PubChem (CID 106307618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).