N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide

C17H16FN3O3 — CID 4789972

IUPACN-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c18-14-8-6-13(7-9-14)17(24)21-20-15(22)10-11-19-16(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,22)(H,21,24)
InChIKeyAENAUQGFELQTGE-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.41
Rot. Bonds5

About N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide

N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4789972) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4789972
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c18-14-8-6-13(7-9-14)17(24)21-20-15(22)10-11-19-16(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,22)(H,21,24)
InChIKeyAENAUQGFELQTGE-UHFFFAOYSA-N
XLogP1.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 4789972) is N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is AENAUQGFELQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-14-8-6-13(7-9-14)17(24)21-20-15(22)10-11-19-16(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 329.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4789972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).