5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide

C15H14BrN3O2 — CID 53163975

IUPAC5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide
SMILESCCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21
InChIInChI=1S/C15H14BrN3O2/c1-2-19-12-6-4-3-5-10(12)11(18-19)9-17-15(20)13-7-8-14(16)21-13/h3-8H,2,9H2,1H3,(H,17,20)
InChIKeyLYUYMLHYKPNBMM-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.34
Rot. Bonds4

About 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide

5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 53163975) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide
PubChem CID53163975
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide
SMILESCCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21
InChIInChI=1S/C15H14BrN3O2/c1-2-19-12-6-4-3-5-10(12)11(18-19)9-17-15(20)13-7-8-14(16)21-13/h3-8H,2,9H2,1H3,(H,17,20)
InChIKeyLYUYMLHYKPNBMM-UHFFFAOYSA-N
XLogP3.34
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide (CID 53163975) is 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide is CCn1nc(CNC(=O)c2ccc(Br)o2)c2ccccc21.
What is the InChIKey of 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is LYUYMLHYKPNBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-2-19-12-6-4-3-5-10(12)11(18-19)9-17-15(20)13-7-8-14(16)21-13/h3-8H,2,9H2,1H3,(H,17,20).
What are the key properties of 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylindazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53163975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).