N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide

C17H15IN2O3 — CID 4929047

IUPACN'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccccc1I
InChIInChI=1S/C17H15IN2O3/c1-2-11-23-15-10-6-4-8-13(15)17(22)20-19-16(21)12-7-3-5-9-14(12)18/h2-10H,1,11H2,(H,19,21)(H,20,22)
InChIKeyTVRONAXFPUIWMY-UHFFFAOYSA-N
MW422.22 g/mol
LogP2.93
Rot. Bonds5

About N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide

N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide (PubChem CID 4929047) has the molecular formula C17H15IN2O3 and a molecular weight of 422.22 g/mol. Its IUPAC name is N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
PubChem CID4929047
Molecular FormulaC17H15IN2O3
Molecular Weight422.22 g/mol
Exact Mass422.01
IUPAC NameN'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccccc1I
InChIInChI=1S/C17H15IN2O3/c1-2-11-23-15-10-6-4-8-13(15)17(22)20-19-16(21)12-7-3-5-9-14(12)18/h2-10H,1,11H2,(H,19,21)(H,20,22)
InChIKeyTVRONAXFPUIWMY-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 4929459
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179

Frequently Asked Questions

What is the IUPAC name of N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide (CID 4929047) is N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)c1ccccc1I.
What is the InChIKey of N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide?
The InChIKey is TVRONAXFPUIWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O3/c1-2-11-23-15-10-6-4-8-13(15)17(22)20-19-16(21)12-7-3-5-9-14(12)18/h2-10H,1,11H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide?
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide has a molecular weight of 422.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4929047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).