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

C17H15ClFN3O4 — CID 7910712

IUPAC2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O4/c18-14-4-2-1-3-13(14)17(25)20-9-15(23)21-22-16(24)10-26-12-7-5-11(19)6-8-12/h1-8H,9-10H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyFRLJMXCSZTYEFA-UHFFFAOYSA-N
MW379.78 g/mol
LogP1.44
Rot. Bonds6

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

2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 7910712) has the molecular formula C17H15ClFN3O4 and a molecular weight of 379.78 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID7910712
Molecular FormulaC17H15ClFN3O4
Molecular Weight379.78 g/mol
Exact Mass379.07
IUPAC Name2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O4/c18-14-4-2-1-3-13(14)17(25)20-9-15(23)21-22-16(24)10-26-12-7-5-11(19)6-8-12/h1-8H,9-10H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyFRLJMXCSZTYEFA-UHFFFAOYSA-N
XLogP1.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 51.44
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-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 7910712) is 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is FRLJMXCSZTYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O4/c18-14-4-2-1-3-13(14)17(25)20-9-15(23)21-22-16(24)10-26-12-7-5-11(19)6-8-12/h1-8H,9-10H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 379.78 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7910712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).