N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide

C18H13FN2O4 — CID 9428099

IUPACN'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)o1)NNC(=O)c1ccco1
InChIInChI=1S/C18H13FN2O4/c19-14-5-2-1-4-13(14)15-9-7-12(25-15)8-10-17(22)20-21-18(23)16-6-3-11-24-16/h1-11H,(H,20,22)(H,21,23)/b10-8+
InChIKeyCIXGBUQRSITPNJ-CSKARUKUSA-N
MW340.31 g/mol
LogP3.15
Rot. Bonds4

About N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide

N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide (PubChem CID 9428099) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
PubChem CID9428099
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC NameN'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)o1)NNC(=O)c1ccco1
InChIInChI=1S/C18H13FN2O4/c19-14-5-2-1-4-13(14)15-9-7-12(25-15)8-10-17(22)20-21-18(23)16-6-3-11-24-16/h1-11H,(H,20,22)(H,21,23)/b10-8+
InChIKeyCIXGBUQRSITPNJ-CSKARUKUSA-N
XLogP3.15
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.15
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'}

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
1-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9428126
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 8940077
N-cyclopentyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzamide
CID 16558973
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
methyl (2R)-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9278098
1-(furan-2-yl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 2753271
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 9185084
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
methyl 2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
CID 39725906

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide (CID 9428099) is N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide is O=C(/C=C/c1ccc(-c2ccccc2F)o1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide?
The InChIKey is CIXGBUQRSITPNJ-CSKARUKUSA-N. The full InChI is InChI=1S/C18H13FN2O4/c19-14-5-2-1-4-13(14)15-9-7-12(25-15)8-10-17(22)20-21-18(23)16-6-3-11-24-16/h1-11H,(H,20,22)(H,21,23)/b10-8+.
What are the key properties of N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide?
N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide has a molecular weight of 340.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9428099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).