N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide

C20H15BrN2O3 — CID 1188722

IUPACN'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
SMILESO=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H15BrN2O3/c21-16-8-6-14(7-9-16)18-12-10-17(26-18)11-13-19(24)22-23-20(25)15-4-2-1-3-5-15/h1-13H,(H,22,24)(H,23,25)
InChIKeyLTMBWVGKUICKTK-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.18
Rot. Bonds4

About N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide

N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide (PubChem CID 1188722) has the molecular formula C20H15BrN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
PubChem CID1188722
Molecular FormulaC20H15BrN2O3
Molecular Weight411.26 g/mol
Exact Mass410.03
IUPAC NameN'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
SMILESO=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H15BrN2O3/c21-16-8-6-14(7-9-16)18-12-10-17(26-18)11-13-19(24)22-23-20(25)15-4-2-1-3-5-15/h1-13H,(H,22,24)(H,23,25)
InChIKeyLTMBWVGKUICKTK-UHFFFAOYSA-N
XLogP4.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide 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-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide (CID 1188722) is N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide is O=C(C=Cc1ccc(-c2ccc(Br)cc2)o1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide?
The InChIKey is LTMBWVGKUICKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3/c21-16-8-6-14(7-9-16)18-12-10-17(26-18)11-13-19(24)22-23-20(25)15-4-2-1-3-5-15/h1-13H,(H,22,24)(H,23,25).
What are the key properties of N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide?
N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide has a molecular weight of 411.26 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 1188722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).