2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide

C19H19ClFN3O4 — CID 24820024

IUPAC2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClFN3O4/c1-12(28-16-9-5-4-8-15(16)21)18(26)24-23-17(25)10-11-22-19(27)13-6-2-3-7-14(13)20/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyGSQFYIPWUJYDOS-UHFFFAOYSA-N
MW407.83 g/mol
LogP2.21
Rot. Bonds7

About 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide

2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 24820024) has the molecular formula C19H19ClFN3O4 and a molecular weight of 407.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID24820024
Molecular FormulaC19H19ClFN3O4
Molecular Weight407.83 g/mol
Exact Mass407.10
IUPAC Name2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClFN3O4/c1-12(28-16-9-5-4-8-15(16)21)18(26)24-23-17(25)10-11-22-19(27)13-6-2-3-7-14(13)20/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyGSQFYIPWUJYDOS-UHFFFAOYSA-N
XLogP2.21
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 52.21
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 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide (CID 24820024) is 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide is CC(Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is GSQFYIPWUJYDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O4/c1-12(28-16-9-5-4-8-15(16)21)18(26)24-23-17(25)10-11-22-19(27)13-6-2-3-7-14(13)20/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 407.83 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 24820024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).