5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide

C16H10Br2N2O4 — CID 3460668

IUPAC5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(Br)o1
InChIInChI=1S/C16H10Br2N2O4/c17-13-6-4-11(23-13)15(21)19-9-2-1-3-10(8-9)20-16(22)12-5-7-14(18)24-12/h1-8H,(H,19,21)(H,20,22)
InChIKeyJBBNZQWJQUMVST-UHFFFAOYSA-N
MW454.07 g/mol
LogP4.90
Rot. Bonds4

About 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide (PubChem CID 3460668) has the molecular formula C16H10Br2N2O4 and a molecular weight of 454.07 g/mol. Its IUPAC name is 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
PubChem CID3460668
Molecular FormulaC16H10Br2N2O4
Molecular Weight454.07 g/mol
Exact Mass451.90
IUPAC Name5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(Br)o1
InChIInChI=1S/C16H10Br2N2O4/c17-13-6-4-11(23-13)15(21)19-9-2-1-3-10(8-9)20-16(22)12-5-7-14(18)24-12/h1-8H,(H,19,21)(H,20,22)
InChIKeyJBBNZQWJQUMVST-UHFFFAOYSA-N
XLogP4.90
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.07
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
CID 17204534
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide (CID 3460668) is 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is JBBNZQWJQUMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O4/c17-13-6-4-11(23-13)15(21)19-9-2-1-3-10(8-9)20-16(22)12-5-7-14(18)24-12/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 454.07 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3460668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).