N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide

C18H16IN3O2 — CID 3859699

IUPACN-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)NN=CC=Cc1ccccc1
InChIInChI=1S/C18H16IN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23)
InChIKeyFSOOKPLQICBAOQ-UHFFFAOYSA-N
MW433.25 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide

N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide (PubChem CID 3859699) has the molecular formula C18H16IN3O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide
PubChem CID3859699
Molecular FormulaC18H16IN3O2
Molecular Weight433.25 g/mol
Exact Mass433.03
IUPAC NameN-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)NN=CC=Cc1ccccc1
InChIInChI=1S/C18H16IN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23)
InChIKeyFSOOKPLQICBAOQ-UHFFFAOYSA-N
XLogP2.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
CID 2847033
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2,2-diphenylacetamide
CID 4598701
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 124541241
1,3-bis(cinnamylideneamino)urea
CID 2823909
2-iodo-N-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6249457
2-iodo-N-[2-oxo-2-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 5020423
2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6875330
N-[2-[2-[2-[(2-benzamidoacetyl)hydrazinylidene]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4082934
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide (CID 3859699) is N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide is O=C(CNC(=O)c1ccccc1I)NN=CC=Cc1ccccc1.
What is the InChIKey of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide?
The InChIKey is FSOOKPLQICBAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23).
What are the key properties of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide?
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide has a molecular weight of 433.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 3859699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).