5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

C16H14ClIN2O3 — CID 78873426

IUPAC5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2I)cc1
InChIInChI=1S/C16H14ClIN2O3/c1-10-2-5-12(6-3-10)23-9-15(21)19-20-16(22)13-8-11(17)4-7-14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyOEIREEPXDXAHSB-UHFFFAOYSA-N
MW444.66 g/mol
LogP3.09
Rot. Bonds4

About 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (PubChem CID 78873426) has the molecular formula C16H14ClIN2O3 and a molecular weight of 444.66 g/mol. Its IUPAC name is 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
PubChem CID78873426
Molecular FormulaC16H14ClIN2O3
Molecular Weight444.66 g/mol
Exact Mass443.97
IUPAC Name5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2I)cc1
InChIInChI=1S/C16H14ClIN2O3/c1-10-2-5-12(6-3-10)23-9-15(21)19-20-16(22)13-8-11(17)4-7-14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyOEIREEPXDXAHSB-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
2,4-dichloro-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3509342
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (CID 78873426) is 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2I)cc1.
What is the InChIKey of 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is OEIREEPXDXAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2O3/c1-10-2-5-12(6-3-10)23-9-15(21)19-20-16(22)13-8-11(17)4-7-14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 444.66 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 78873426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).