5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide

C13H12Br2N2O4 — CID 2292970

IUPAC5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
SMILESC[C@H](CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12Br2N2O4/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19)/t7-/m1/s1
InChIKeySEYUVYWWAMYEGF-SSDOTTSWSA-N
MW420.06 g/mol
LogP2.95
Rot. Bonds5

About 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide

5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide (PubChem CID 2292970) has the molecular formula C13H12Br2N2O4 and a molecular weight of 420.06 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
PubChem CID2292970
Molecular FormulaC13H12Br2N2O4
Molecular Weight420.06 g/mol
Exact Mass417.92
IUPAC Name5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
SMILESC[C@H](CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12Br2N2O4/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19)/t7-/m1/s1
InChIKeySEYUVYWWAMYEGF-SSDOTTSWSA-N
XLogP2.95
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide (CID 2292970) is 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide is C[C@H](CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
The InChIKey is SEYUVYWWAMYEGF-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H12Br2N2O4/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19)/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide has a molecular weight of 420.06 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 2292970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).