2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide

C15H14ClN3O3 — CID 2131610

IUPAC2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NN=Cc1ccco1
InChIInChI=1S/C15H14ClN3O3/c16-13-6-2-1-5-12(13)15(21)17-8-7-14(20)19-18-10-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,17,21)(H,19,20)
InChIKeyOQHZYTIZXLFKKA-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.20
Rot. Bonds6

About 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide

2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 2131610) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID2131610
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NN=Cc1ccco1
InChIInChI=1S/C15H14ClN3O3/c16-13-6-2-1-5-12(13)15(21)17-8-7-14(20)19-18-10-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,17,21)(H,19,20)
InChIKeyOQHZYTIZXLFKKA-UHFFFAOYSA-N
XLogP2.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide (CID 2131610) is 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NN=Cc1ccco1.
What is the InChIKey of 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is OQHZYTIZXLFKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-13-6-2-1-5-12(13)15(21)17-8-7-14(20)19-18-10-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,17,21)(H,19,20).
What are the key properties of 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 319.75 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 2131610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).