N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide

C14H12BrN3O4 — CID 7809285

IUPACN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H12BrN3O4/c15-11-7-6-10(22-11)14(21)16-8-12(19)17-18-13(20)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyJZHULGYUYAVHES-UHFFFAOYSA-N
MW366.17 g/mol
LogP1.23
Rot. Bonds4

About N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 7809285) has the molecular formula C14H12BrN3O4 and a molecular weight of 366.17 g/mol. Its IUPAC name is N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID7809285
Molecular FormulaC14H12BrN3O4
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC NameN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H12BrN3O4/c15-11-7-6-10(22-11)14(21)16-8-12(19)17-18-13(20)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyJZHULGYUYAVHES-UHFFFAOYSA-N
XLogP1.23
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 7809285) is N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is JZHULGYUYAVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O4/c15-11-7-6-10(22-11)14(21)16-8-12(19)17-18-13(20)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 366.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 7809285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).