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

C8H9Br2NO2 — CID 106856150

IUPAC2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
SMILESCC(CBr)NC(=O)c1ccoc1Br
InChIInChI=1S/C8H9Br2NO2/c1-5(4-9)11-8(12)6-2-3-13-7(6)10/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyGVNJFFLDIXEUDL-UHFFFAOYSA-N
MW310.97 g/mol
LogP2.56
Rot. Bonds3

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

2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide (PubChem CID 106856150) has the molecular formula C8H9Br2NO2 and a molecular weight of 310.97 g/mol. Its IUPAC name is 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
PubChem CID106856150
Molecular FormulaC8H9Br2NO2
Molecular Weight310.97 g/mol
Exact Mass308.90
IUPAC Name2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
SMILESCC(CBr)NC(=O)c1ccoc1Br
InChIInChI=1S/C8H9Br2NO2/c1-5(4-9)11-8(12)6-2-3-13-7(6)10/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyGVNJFFLDIXEUDL-UHFFFAOYSA-N
XLogP2.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.97
LogP ≤ 52.56
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-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
diethyl 2-[(2-bromofuran-3-carbonyl)amino]propanedioate
CID 106855266
(2S)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
CID 106851140
(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
CID 106851139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide (CID 106856150) is 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide is CC(CBr)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide?
The InChIKey is GVNJFFLDIXEUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2/c1-5(4-9)11-8(12)6-2-3-13-7(6)10/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide?
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide has a molecular weight of 310.97 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106856150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).