ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate

C13H12BrNO5 — CID 71976281

IUPACethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccc(Br)o2)o1
InChIInChI=1S/C13H12BrNO5/c1-2-18-13(17)10-4-3-8(19-10)7-15-12(16)9-5-6-11(14)20-9/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyBZDNBXJBOQPSCW-UHFFFAOYSA-N
MW342.15 g/mol
LogP2.74
Rot. Bonds5

About ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 71976281) has the molecular formula C13H12BrNO5 and a molecular weight of 342.15 g/mol. Its IUPAC name is ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID71976281
Molecular FormulaC13H12BrNO5
Molecular Weight342.15 g/mol
Exact Mass340.99
IUPAC Nameethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccc(Br)o2)o1
InChIInChI=1S/C13H12BrNO5/c1-2-18-13(17)10-4-3-8(19-10)7-15-12(16)9-5-6-11(14)20-9/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyBZDNBXJBOQPSCW-UHFFFAOYSA-N
XLogP2.74
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
CID 42169756
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate (CID 71976281) is ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2ccc(Br)o2)o1.
What is the InChIKey of ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is BZDNBXJBOQPSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO5/c1-2-18-13(17)10-4-3-8(19-10)7-15-12(16)9-5-6-11(14)20-9/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 342.15 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71976281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).