4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C18H17ClFN3O4 — CID 7910778

IUPAC4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O4/c19-13-3-1-12(2-4-13)18(26)21-10-9-16(24)22-23-17(25)11-27-15-7-5-14(20)6-8-15/h1-8H,9-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyASAVWABGSBFZDU-UHFFFAOYSA-N
MW393.80 g/mol
LogP1.83
Rot. Bonds7

About 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 7910778) has the molecular formula C18H17ClFN3O4 and a molecular weight of 393.80 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID7910778
Molecular FormulaC18H17ClFN3O4
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O4/c19-13-3-1-12(2-4-13)18(26)21-10-9-16(24)22-23-17(25)11-27-15-7-5-14(20)6-8-15/h1-8H,9-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyASAVWABGSBFZDU-UHFFFAOYSA-N
XLogP1.83
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 51.83
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 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 7910778) is 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is ASAVWABGSBFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O4/c19-13-3-1-12(2-4-13)18(26)21-10-9-16(24)22-23-17(25)11-27-15-7-5-14(20)6-8-15/h1-8H,9-11H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 393.80 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 7910778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).