1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide

C20H20I2N4O4 — CID 3752401

IUPAC1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)c1ccccc1I)NNC(=O)c1ccccc1I
InChIInChI=1S/C20H20I2N4O4/c21-15-9-3-1-7-13(15)19(29)25-23-17(27)11-5-6-12-18(28)24-26-20(30)14-8-2-4-10-16(14)22/h1-4,7-10H,5-6,11-12H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyIZSDIRUWVNVHSQ-UHFFFAOYSA-N
MW634.21 g/mol
LogP2.68
Rot. Bonds7

About 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide

1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide (PubChem CID 3752401) has the molecular formula C20H20I2N4O4 and a molecular weight of 634.21 g/mol. Its IUPAC name is 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide
PubChem CID3752401
Molecular FormulaC20H20I2N4O4
Molecular Weight634.21 g/mol
Exact Mass633.96
IUPAC Name1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)c1ccccc1I)NNC(=O)c1ccccc1I
InChIInChI=1S/C20H20I2N4O4/c21-15-9-3-1-7-13(15)19(29)25-23-17(27)11-5-6-12-18(28)24-26-20(30)14-8-2-4-10-16(14)22/h1-4,7-10H,5-6,11-12H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyIZSDIRUWVNVHSQ-UHFFFAOYSA-N
XLogP2.68
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.21
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
2-[[(2-iodobenzoyl)amino]carbamoyl]benzoate
CID 3622064
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001
2-[(pentanoylamino)carbamoyl]benzoic acid
CID 27378544
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[4-[[(2-iodobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011744
N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555565
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
2-iodo-N'-(3-iodobenzoyl)benzohydrazide
CID 4236537
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
(E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide
CID 6122714

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide (CID 3752401) is 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide is O=C(CCCCC(=O)NNC(=O)c1ccccc1I)NNC(=O)c1ccccc1I.
What is the InChIKey of 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide?
The InChIKey is IZSDIRUWVNVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20I2N4O4/c21-15-9-3-1-7-13(15)19(29)25-23-17(27)11-5-6-12-18(28)24-26-20(30)14-8-2-4-10-16(14)22/h1-4,7-10H,5-6,11-12H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide?
1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide has a molecular weight of 634.21 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide is sourced from PubChem (CID 3752401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).