5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide

C9H11BrClNO3 — CID 114298680

IUPAC5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrClNO3/c1-14-5-6(11)4-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyBVOWTBGSOMGIRV-UHFFFAOYSA-N
MW296.55 g/mol
LogP2.03
Rot. Bonds5

About 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide

5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide (PubChem CID 114298680) has the molecular formula C9H11BrClNO3 and a molecular weight of 296.55 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
PubChem CID114298680
Molecular FormulaC9H11BrClNO3
Molecular Weight296.55 g/mol
Exact Mass294.96
IUPAC Name5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrClNO3/c1-14-5-6(11)4-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyBVOWTBGSOMGIRV-UHFFFAOYSA-N
XLogP2.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 114298846
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
3-bromo-N-(2-chloro-3-methoxypropyl)-2-methylbenzamide
CID 114298695
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide (CID 114298680) is 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide is COCC(Cl)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
The InChIKey is BVOWTBGSOMGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO3/c1-14-5-6(11)4-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide has a molecular weight of 296.55 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 114298680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).