2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide

C18H20ClN3O3 — CID 6893418

IUPAC2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C/c1ccco1
InChIInChI=1S/C18H20ClN3O3/c19-16-9-4-3-8-15(16)18(24)20-11-5-1-2-10-17(23)22-21-13-14-7-6-12-25-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,20,24)(H,22,23)/b21-13+
InChIKeyDAKRWPZDECCFGN-FYJGNVAPSA-N
MW361.83 g/mol
LogP3.37
Rot. Bonds9

About 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide

2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 6893418) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
PubChem CID6893418
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C/c1ccco1
InChIInChI=1S/C18H20ClN3O3/c19-16-9-4-3-8-15(16)18(24)20-11-5-1-2-10-17(23)22-21-13-14-7-6-12-25-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,20,24)(H,22,23)/b21-13+
InChIKeyDAKRWPZDECCFGN-FYJGNVAPSA-N
XLogP3.37
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide (CID 6893418) is 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C/c1ccco1.
What is the InChIKey of 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is DAKRWPZDECCFGN-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-16-9-4-3-8-15(16)18(24)20-11-5-1-2-10-17(23)22-21-13-14-7-6-12-25-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,20,24)(H,22,23)/b21-13+.
What are the key properties of 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide?
2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 361.83 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 6893418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).