2-iodo-N'-(3-iodobenzoyl)benzohydrazide

C14H10I2N2O2 — CID 4236537

IUPAC2-iodo-N'-(3-iodobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1I)c1cccc(I)c1
InChIInChI=1S/C14H10I2N2O2/c15-10-5-3-4-9(8-10)13(19)17-18-14(20)11-6-1-2-7-12(11)16/h1-8H,(H,17,19)(H,18,20)
InChIKeyPASABWJCRRQCSD-UHFFFAOYSA-N
MW492.05 g/mol
LogP2.97
Rot. Bonds2

About 2-iodo-N'-(3-iodobenzoyl)benzohydrazide

2-iodo-N'-(3-iodobenzoyl)benzohydrazide (PubChem CID 4236537) has the molecular formula C14H10I2N2O2 and a molecular weight of 492.05 g/mol. Its IUPAC name is 2-iodo-N'-(3-iodobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-iodo-N'-(3-iodobenzoyl)benzohydrazide
PubChem CID4236537
Molecular FormulaC14H10I2N2O2
Molecular Weight492.05 g/mol
Exact Mass491.88
IUPAC Name2-iodo-N'-(3-iodobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1I)c1cccc(I)c1
InChIInChI=1S/C14H10I2N2O2/c15-10-5-3-4-9(8-10)13(19)17-18-14(20)11-6-1-2-7-12(11)16/h1-8H,(H,17,19)(H,18,20)
InChIKeyPASABWJCRRQCSD-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.05
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-iodobenzoyl)amino]carbamoyl]benzoate
CID 6972064
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
CID 1035001
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
N'-(3-iodobenzoyl)pyridine-4-carbohydrazide
CID 3280219
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
2-[[(2-iodobenzoyl)amino]carbamoyl]benzoate
CID 3622064
methyl 3-[[(2-iodobenzoyl)amino]carbamothioylcarbamoyl]benzoate
CID 17175745
3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide
CID 3399843
4-bromo-N'-(3-iodobenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421335
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N'-(3-iodobenzoyl)benzohydrazide?
The IUPAC name of 2-iodo-N'-(3-iodobenzoyl)benzohydrazide (CID 4236537) is 2-iodo-N'-(3-iodobenzoyl)benzohydrazide.
What is the SMILES notation for 2-iodo-N'-(3-iodobenzoyl)benzohydrazide?
The canonical SMILES for 2-iodo-N'-(3-iodobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1I)c1cccc(I)c1.
What is the InChIKey of 2-iodo-N'-(3-iodobenzoyl)benzohydrazide?
The InChIKey is PASABWJCRRQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I2N2O2/c15-10-5-3-4-9(8-10)13(19)17-18-14(20)11-6-1-2-7-12(11)16/h1-8H,(H,17,19)(H,18,20).
What are the key properties of 2-iodo-N'-(3-iodobenzoyl)benzohydrazide?
2-iodo-N'-(3-iodobenzoyl)benzohydrazide has a molecular weight of 492.05 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N'-(3-iodobenzoyl)benzohydrazide is sourced from PubChem (CID 4236537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).