[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

C23H18IN3O4 — CID 124541241

IUPAC[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CNC(=O)c1ccccc1I)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18IN3O4/c24-20-9-5-4-8-19(20)22(29)25-15-21(28)27-26-14-16-10-12-18(13-11-16)31-23(30)17-6-2-1-3-7-17/h1-14H,15H2,(H,25,29)(H,27,28)/b26-14-
InChIKeyRXXXFHJJEITFGH-WGARJPEWSA-N
MW527.32 g/mol
LogP3.39
Rot. Bonds7

About [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 124541241) has the molecular formula C23H18IN3O4 and a molecular weight of 527.32 g/mol. Its IUPAC name is [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID124541241
Molecular FormulaC23H18IN3O4
Molecular Weight527.32 g/mol
Exact Mass527.03
IUPAC Name[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CNC(=O)c1ccccc1I)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18IN3O4/c24-20-9-5-4-8-19(20)22(29)25-15-21(28)27-26-14-16-10-12-18(13-11-16)31-23(30)17-6-2-1-3-7-17/h1-14H,15H2,(H,25,29)(H,27,28)/b26-14-
InChIKeyRXXXFHJJEITFGH-WGARJPEWSA-N
XLogP3.39
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3871272
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 51060577
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 124632208
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[(Z)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6185832
[1-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 51061339
[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6182259
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
CID 3749719
[4-[[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3554092
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6048625

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate (CID 124541241) is [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is O=C(CNC(=O)c1ccccc1I)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is RXXXFHJJEITFGH-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18IN3O4/c24-20-9-5-4-8-19(20)22(29)25-15-21(28)27-26-14-16-10-12-18(13-11-16)31-23(30)17-6-2-1-3-7-17/h1-14H,15H2,(H,25,29)(H,27,28)/b26-14-.
What are the key properties of [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 527.32 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 124541241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).