2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide

C23H28ClFN2O2 — CID 42644920

IUPAC2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H28ClFN2O2/c1-3-5-9-19(10-6-4-2)27(23(29)17-13-15-18(25)16-14-17)26-22(28)20-11-7-8-12-21(20)24/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,26,28)
InChIKeyQEFZXIBLJLSJFU-UHFFFAOYSA-N
MW418.94 g/mol
LogP6.02
Rot. Bonds9

About 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide

2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide (PubChem CID 42644920) has the molecular formula C23H28ClFN2O2 and a molecular weight of 418.94 g/mol. Its IUPAC name is 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
PubChem CID42644920
Molecular FormulaC23H28ClFN2O2
Molecular Weight418.94 g/mol
Exact Mass418.18
IUPAC Name2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H28ClFN2O2/c1-3-5-9-19(10-6-4-2)27(23(29)17-13-15-18(25)16-14-17)26-22(28)20-11-7-8-12-21(20)24/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,26,28)
InChIKeyQEFZXIBLJLSJFU-UHFFFAOYSA-N
XLogP6.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
The IUPAC name of 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide (CID 42644920) is 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
The canonical SMILES for 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide is CCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
The InChIKey is QEFZXIBLJLSJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O2/c1-3-5-9-19(10-6-4-2)27(23(29)17-13-15-18(25)16-14-17)26-22(28)20-11-7-8-12-21(20)24/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,26,28).
What are the key properties of 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide has a molecular weight of 418.94 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide is sourced from PubChem (CID 42644920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).