5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide

C10H13BrClNO3 — CID 106306986

IUPAC5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOCCCl)c1ccc(Br)o1
InChIInChI=1S/C10H13BrClNO3/c11-9-3-2-8(16-9)10(14)13-5-1-6-15-7-4-12/h2-3H,1,4-7H2,(H,13,14)
InChIKeyXILXDOURXRMVQJ-UHFFFAOYSA-N
MW310.58 g/mol
LogP2.42
Rot. Bonds7

About 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide

5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide (PubChem CID 106306986) has the molecular formula C10H13BrClNO3 and a molecular weight of 310.58 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
PubChem CID106306986
Molecular FormulaC10H13BrClNO3
Molecular Weight310.58 g/mol
Exact Mass308.98
IUPAC Name5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
SMILESO=C(NCCCOCCCl)c1ccc(Br)o1
InChIInChI=1S/C10H13BrClNO3/c11-9-3-2-8(16-9)10(14)13-5-1-6-15-7-4-12/h2-3H,1,4-7H2,(H,13,14)
InChIKeyXILXDOURXRMVQJ-UHFFFAOYSA-N
XLogP2.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 52.42
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

5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide (CID 106306986) is 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide is O=C(NCCCOCCCl)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide?
The InChIKey is XILXDOURXRMVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3/c11-9-3-2-8(16-9)10(14)13-5-1-6-15-7-4-12/h2-3H,1,4-7H2,(H,13,14).
What are the key properties of 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide?
5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide has a molecular weight of 310.58 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide is sourced from PubChem (CID 106306986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).