[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate

C15H12IN3O3 — CID 6024810

IUPAC[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
SMILESNC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2I)cc1
InChIInChI=1S/C15H12IN3O3/c16-13-4-2-1-3-12(13)14(20)22-11-7-5-10(6-8-11)9-18-19-15(17)21/h1-9H,(H3,17,19,21)/b18-9-
InChIKeyFTZOWSPCWCVAND-NVMNQCDNSA-N
MW409.18 g/mol
LogP2.51
Rot. Bonds4

About [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate

[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate (PubChem CID 6024810) has the molecular formula C15H12IN3O3 and a molecular weight of 409.18 g/mol. Its IUPAC name is [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate.

Molecular Properties

Compound Name[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
PubChem CID6024810
Molecular FormulaC15H12IN3O3
Molecular Weight409.18 g/mol
Exact Mass408.99
IUPAC Name[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
SMILESNC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2I)cc1
InChIInChI=1S/C15H12IN3O3/c16-13-4-2-1-3-12(13)14(20)22-11-7-5-10(6-8-11)9-18-19-15(17)21/h1-9H,(H3,17,19,21)/b18-9-
InChIKeyFTZOWSPCWCVAND-NVMNQCDNSA-N
XLogP2.51
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.18
LogP ≤ 52.51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3415609
[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6294132
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 75087729
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 51060758
[4-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4296831
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4150709
[4-[(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
CID 3485483
[4-[[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4674193
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486
[4-[[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3423321
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate?
The IUPAC name of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate (CID 6024810) is [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate.
What is the SMILES notation for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate?
The canonical SMILES for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate is NC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2I)cc1.
What is the InChIKey of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate?
The InChIKey is FTZOWSPCWCVAND-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12IN3O3/c16-13-4-2-1-3-12(13)14(20)22-11-7-5-10(6-8-11)9-18-19-15(17)21/h1-9H,(H3,17,19,21)/b18-9-.
What are the key properties of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate?
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate has a molecular weight of 409.18 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate is sourced from PubChem (CID 6024810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).