N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide

C15H12FIN2O3 — CID 27836051

IUPACN'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H12FIN2O3/c16-11-3-7-13(8-4-11)22-9-14(20)18-19-15(21)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyJJFZKJLEFAMOFB-UHFFFAOYSA-N
MW414.17 g/mol
LogP2.27
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide (PubChem CID 27836051) has the molecular formula C15H12FIN2O3 and a molecular weight of 414.17 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
PubChem CID27836051
Molecular FormulaC15H12FIN2O3
Molecular Weight414.17 g/mol
Exact Mass413.99
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H12FIN2O3/c16-11-3-7-13(8-4-11)22-9-14(20)18-19-15(21)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyJJFZKJLEFAMOFB-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.17
LogP ≤ 52.27
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'}

Analyze N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 47003985
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
tert-butyl N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]carbamate
CID 9379254
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
3,4-difluoro-N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 25335648
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 24684710

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide (CID 27836051) is N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(I)cc1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide?
The InChIKey is JJFZKJLEFAMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIN2O3/c16-11-3-7-13(8-4-11)22-9-14(20)18-19-15(21)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide has a molecular weight of 414.17 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide is sourced from PubChem (CID 27836051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).