4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide

C16H15FIN3O2 — CID 56502474

IUPAC4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(F)cc2I)cc1
InChIInChI=1S/C16H15FIN3O2/c1-10-2-5-12(6-3-10)19-9-15(22)20-21-16(23)13-7-4-11(17)8-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyRHYQNSHDJVCWKR-UHFFFAOYSA-N
MW427.22 g/mol
LogP2.61
Rot. Bonds4

About 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide

4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide (PubChem CID 56502474) has the molecular formula C16H15FIN3O2 and a molecular weight of 427.22 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide
PubChem CID56502474
Molecular FormulaC16H15FIN3O2
Molecular Weight427.22 g/mol
Exact Mass427.02
IUPAC Name4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(F)cc2I)cc1
InChIInChI=1S/C16H15FIN3O2/c1-10-2-5-12(6-3-10)19-9-15(22)20-21-16(23)13-7-4-11(17)8-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyRHYQNSHDJVCWKR-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 52.61
H-Bond Donors ≤ 53
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'-[2-(4-methylanilino)acetyl]benzohydrazide
CID 18140176
2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
CID 55439179
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
CID 18267359
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
N'-[2-(4-methylanilino)acetyl]-3-methylsulfonylbenzohydrazide
CID 55350628
2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 9157672
1-(3-chloro-4-fluorophenyl)-3-[[2-(4-methylanilino)acetyl]amino]thiourea
CID 8617704
1-(4-fluoro-2-iodophenyl)-3-(4-methylphenyl)urea
CID 79766973
1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
CID 82120744
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide (CID 56502474) is 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccc(F)cc2I)cc1.
What is the InChIKey of 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
The InChIKey is RHYQNSHDJVCWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN3O2/c1-10-2-5-12(6-3-10)19-9-15(22)20-21-16(23)13-7-4-11(17)8-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide?
4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide has a molecular weight of 427.22 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide is sourced from PubChem (CID 56502474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).