2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide

C10H13Br2NO2 — CID 106856169

IUPAC2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1ccoc1Br
InChIInChI=1S/C10H13Br2NO2/c1-6(2)8(5-11)13-10(14)7-3-4-15-9(7)12/h3-4,6,8H,5H2,1-2H3,(H,13,14)
InChIKeyPPOPUXSHMLVPQL-UHFFFAOYSA-N
MW339.03 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide

2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide (PubChem CID 106856169) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
PubChem CID106856169
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1ccoc1Br
InChIInChI=1S/C10H13Br2NO2/c1-6(2)8(5-11)13-10(14)7-3-4-15-9(7)12/h3-4,6,8H,5H2,1-2H3,(H,13,14)
InChIKeyPPOPUXSHMLVPQL-UHFFFAOYSA-N
XLogP3.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide (CID 106856169) is 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide is CC(C)C(CBr)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide?
The InChIKey is PPOPUXSHMLVPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-6(2)8(5-11)13-10(14)7-3-4-15-9(7)12/h3-4,6,8H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide?
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide has a molecular weight of 339.03 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).