N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide

C18H15IN4O4 — CID 35946068

IUPACN-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C18H15IN4O4/c19-14-7-3-2-6-13(14)18(26)21-10-16(24)22-23-17(25)11-27-15-8-4-1-5-12(15)9-20/h1-8H,10-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRACHOITVWHJACP-UHFFFAOYSA-N
MW478.25 g/mol
LogP1.12
Rot. Bonds6

About N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide

N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide (PubChem CID 35946068) has the molecular formula C18H15IN4O4 and a molecular weight of 478.25 g/mol. Its IUPAC name is N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
PubChem CID35946068
Molecular FormulaC18H15IN4O4
Molecular Weight478.25 g/mol
Exact Mass478.01
IUPAC NameN-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C18H15IN4O4/c19-14-7-3-2-6-13(14)18(26)21-10-16(24)22-23-17(25)11-27-15-8-4-1-5-12(15)9-20/h1-8H,10-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRACHOITVWHJACP-UHFFFAOYSA-N
XLogP1.12
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.25
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4850375
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292956
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9375775
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide (CID 35946068) is N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is RACHOITVWHJACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN4O4/c19-14-7-3-2-6-13(14)18(26)21-10-16(24)22-23-17(25)11-27-15-8-4-1-5-12(15)9-20/h1-8H,10-11H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide?
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 478.25 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 35946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).