N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide

C15H13FN2O4 — CID 9366994

IUPACN'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2ccco2)cc1F
InChIInChI=1S/C15H13FN2O4/c1-21-12-6-4-10(9-11(12)16)5-7-14(19)17-18-15(20)13-3-2-8-22-13/h2-9H,1H3,(H,17,19)(H,18,20)/b7-5+
InChIKeyNINBZJXGGCNCMC-FNORWQNLSA-N
MW304.28 g/mol
LogP1.90
Rot. Bonds4

About N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide

N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide (PubChem CID 9366994) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide
PubChem CID9366994
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2ccco2)cc1F
InChIInChI=1S/C15H13FN2O4/c1-21-12-6-4-10(9-11(12)16)5-7-14(19)17-18-15(20)13-3-2-8-22-13/h2-9H,1H3,(H,17,19)(H,18,20)/b7-5+
InChIKeyNINBZJXGGCNCMC-FNORWQNLSA-N
XLogP1.90
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]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'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide (CID 9366994) is N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide is COc1ccc(/C=C/C(=O)NNC(=O)c2ccco2)cc1F.
What is the InChIKey of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide?
The InChIKey is NINBZJXGGCNCMC-FNORWQNLSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-21-12-6-4-10(9-11(12)16)5-7-14(19)17-18-15(20)13-3-2-8-22-13/h2-9H,1H3,(H,17,19)(H,18,20)/b7-5+.
What are the key properties of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide?
N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide has a molecular weight of 304.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9366994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).