N'-(3-bromobenzoyl)furan-2-carbohydrazide

C12H9BrN2O3 — CID 795641

IUPACN'-(3-bromobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1cccc(Br)c1
InChIInChI=1S/C12H9BrN2O3/c13-9-4-1-3-8(7-9)11(16)14-15-12(17)10-5-2-6-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyAMWWTYVIFGKSPZ-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.12
Rot. Bonds2

About N'-(3-bromobenzoyl)furan-2-carbohydrazide

N'-(3-bromobenzoyl)furan-2-carbohydrazide (PubChem CID 795641) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is N'-(3-bromobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromobenzoyl)furan-2-carbohydrazide
PubChem CID795641
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC NameN'-(3-bromobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1cccc(Br)c1
InChIInChI=1S/C12H9BrN2O3/c13-9-4-1-3-8(7-9)11(16)14-15-12(17)10-5-2-6-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyAMWWTYVIFGKSPZ-UHFFFAOYSA-N
XLogP2.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-bromobenzoyl)furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromobenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-bromobenzoyl)furan-2-carbohydrazide (CID 795641) is N'-(3-bromobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-bromobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1cccc(Br)c1.
What is the InChIKey of N'-(3-bromobenzoyl)furan-2-carbohydrazide?
The InChIKey is AMWWTYVIFGKSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-9-4-1-3-8(7-9)11(16)14-15-12(17)10-5-2-6-18-10/h1-7H,(H,14,16)(H,15,17).
What are the key properties of N'-(3-bromobenzoyl)furan-2-carbohydrazide?
N'-(3-bromobenzoyl)furan-2-carbohydrazide has a molecular weight of 309.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 795641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).