5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide

C13H11BrN2O3 — CID 729926

IUPAC5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H11BrN2O3/c14-11-7-6-10(19-11)13(18)16-15-12(17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyYHKTUNHGTOXVDW-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.05
Rot. Bonds3

About 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide

5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide (PubChem CID 729926) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide
PubChem CID729926
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H11BrN2O3/c14-11-7-6-10(19-11)13(18)16-15-12(17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyYHKTUNHGTOXVDW-UHFFFAOYSA-N
XLogP2.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide (CID 729926) is 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide is O=C(Cc1ccccc1)NNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide?
The InChIKey is YHKTUNHGTOXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-11-7-6-10(19-11)13(18)16-15-12(17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide?
5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide has a molecular weight of 323.15 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-phenylacetyl)furan-2-carbohydrazide is sourced from PubChem (CID 729926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).