N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide

C17H16FIN2O3 — CID 46452811

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C(C)Oc2ccccc2F)c1I
InChIInChI=1S/C17H16FIN2O3/c1-10-6-5-7-12(15(10)19)17(23)21-20-16(22)11(2)24-14-9-4-3-8-13(14)18/h3-9,11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyJMPMWPMJHHGSHZ-UHFFFAOYSA-N
MW442.23 g/mol
LogP2.97
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide (PubChem CID 46452811) has the molecular formula C17H16FIN2O3 and a molecular weight of 442.23 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
PubChem CID46452811
Molecular FormulaC17H16FIN2O3
Molecular Weight442.23 g/mol
Exact Mass442.02
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C(C)Oc2ccccc2F)c1I
InChIInChI=1S/C17H16FIN2O3/c1-10-6-5-7-12(15(10)19)17(23)21-20-16(22)11(2)24-14-9-4-3-8-13(14)18/h3-9,11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyJMPMWPMJHHGSHZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 52.97
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-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
N-[2-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25490349
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
N'-[2-(2-fluorophenoxy)propanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 17499092
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 55543848
2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 55380733
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 9297840
2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55741094
2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 55341907

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide (CID 46452811) is N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)C(C)Oc2ccccc2F)c1I.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide?
The InChIKey is JMPMWPMJHHGSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN2O3/c1-10-6-5-7-12(15(10)19)17(23)21-20-16(22)11(2)24-14-9-4-3-8-13(14)18/h3-9,11H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide has a molecular weight of 442.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide is sourced from PubChem (CID 46452811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).