5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide

C16H11BrN2O4 — CID 1365371

IUPAC5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccco1
InChIInChI=1S/C16H11BrN2O4/c17-14-7-6-13(23-14)16(21)19-11-4-1-3-10(9-11)18-15(20)12-5-2-8-22-12/h1-9H,(H,18,20)(H,19,21)
InChIKeyUCHUUJCDHKWLNS-UHFFFAOYSA-N
MW375.18 g/mol
LogP4.14
Rot. Bonds4

About 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide

5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 1365371) has the molecular formula C16H11BrN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID1365371
Molecular FormulaC16H11BrN2O4
Molecular Weight375.18 g/mol
Exact Mass373.99
IUPAC Name5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccco1
InChIInChI=1S/C16H11BrN2O4/c17-14-7-6-13(23-14)16(21)19-11-4-1-3-10(9-11)18-15(20)12-5-2-8-22-12/h1-9H,(H,18,20)(H,19,21)
InChIKeyUCHUUJCDHKWLNS-UHFFFAOYSA-N
XLogP4.14
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3460668
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7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
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CID 59654859
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
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CID 27244358

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide (CID 1365371) is 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccco1.
What is the InChIKey of 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is UCHUUJCDHKWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O4/c17-14-7-6-13(23-14)16(21)19-11-4-1-3-10(9-11)18-15(20)12-5-2-8-22-12/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 375.18 g/mol, XLogP of 4.14, 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-(furan-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1365371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).