N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

C17H16FN3O4 — CID 7910739

IUPACN-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O4/c18-13-6-8-14(9-7-13)25-11-16(23)21-20-15(22)10-19-17(24)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyLPYZJZFVAMYAIA-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.78
Rot. Bonds6

About N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 7910739) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID7910739
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O4/c18-13-6-8-14(9-7-13)25-11-16(23)21-20-15(22)10-19-17(24)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyLPYZJZFVAMYAIA-UHFFFAOYSA-N
XLogP0.78
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 7910739) is N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is LPYZJZFVAMYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-13-6-8-14(9-7-13)25-11-16(23)21-20-15(22)10-19-17(24)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 345.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7910739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).