N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide

C26H24IN3O3 — CID 6322113

IUPACN-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide
SMILESCCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2cccc(I)c2)cc1
InChIInChI=1S/C26H24IN3O3/c1-2-15-33-23-13-11-19(12-14-23)17-24(29-25(31)21-8-4-3-5-9-21)26(32)30-28-18-20-7-6-10-22(27)16-20/h3-14,16-18H,2,15H2,1H3,(H,29,31)(H,30,32)/b24-17-,28-18-
InChIKeyJUSQDIZKMNTETB-WLUWMFIVSA-N
MW553.40 g/mol
LogP5.00
Rot. Bonds9

About N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide

N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide (PubChem CID 6322113) has the molecular formula C26H24IN3O3 and a molecular weight of 553.40 g/mol. Its IUPAC name is N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide
PubChem CID6322113
Molecular FormulaC26H24IN3O3
Molecular Weight553.40 g/mol
Exact Mass553.09
IUPAC NameN-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide
SMILESCCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2cccc(I)c2)cc1
InChIInChI=1S/C26H24IN3O3/c1-2-15-33-23-13-11-19(12-14-23)17-24(29-25(31)21-8-4-3-5-9-21)26(32)30-28-18-20-7-6-10-22(27)16-20/h3-14,16-18H,2,15H2,1H3,(H,29,31)(H,30,32)/b24-17-,28-18-
InChIKeyJUSQDIZKMNTETB-WLUWMFIVSA-N
XLogP5.00
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide
CID 129437546
N-[(Z)-3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide
CID 135419833
N-[(E)-1-[4-(dimethylamino)phenyl]-3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 129441365
N-[3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3093233
N-[(E)-3-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 135910003
N-[3-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2857122
N-[(Z)-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 135852210
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033
N-[3-[2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2856218
N-[(E)-3-[2-(anthracen-9-ylmethylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 129439037
N-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46496700
N-[(E)-3-[(2Z)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 92847415

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide (CID 6322113) is N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide is CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2cccc(I)c2)cc1.
What is the InChIKey of N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide?
The InChIKey is JUSQDIZKMNTETB-WLUWMFIVSA-N. The full InChI is InChI=1S/C26H24IN3O3/c1-2-15-33-23-13-11-19(12-14-23)17-24(29-25(31)21-8-4-3-5-9-21)26(32)30-28-18-20-7-6-10-22(27)16-20/h3-14,16-18H,2,15H2,1H3,(H,29,31)(H,30,32)/b24-17-,28-18-.
What are the key properties of N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide?
N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide has a molecular weight of 553.40 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[(2Z)-2-[(3-iodophenyl)methylidene]hydrazinyl]-3-oxo-1-(4-propoxyphenyl)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 6322113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).