3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide

C20H23IN2O3 — CID 3412471

IUPAC3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)c1
InChIInChI=1S/C20H23IN2O3/c1-12(2)16-8-5-13(3)9-18(16)26-11-19(24)22-23-20(25)15-7-6-14(4)17(21)10-15/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJWFMECFFHFQMGW-UHFFFAOYSA-N
MW466.32 g/mol
LogP3.87
Rot. Bonds5

About 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide

3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 3412471) has the molecular formula C20H23IN2O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID3412471
Molecular FormulaC20H23IN2O3
Molecular Weight466.32 g/mol
Exact Mass466.08
IUPAC Name3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)c1
InChIInChI=1S/C20H23IN2O3/c1-12(2)16-8-5-13(3)9-18(16)26-11-19(24)22-23-20(25)15-7-6-14(4)17(21)10-15/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJWFMECFFHFQMGW-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.87
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

3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
CID 24517670
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 55317018
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 26821351
2,6-difluoro-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 36816947
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propanoylphenoxy)acetohydrazide
CID 4811488
N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
CID 3412402
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 3412471) is 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)c1.
What is the InChIKey of 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is JWFMECFFHFQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O3/c1-12(2)16-8-5-13(3)9-18(16)26-11-19(24)22-23-20(25)15-7-6-14(4)17(21)10-15/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 466.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 3412471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).