2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide

C23H28ClFN2O2 — CID 42645372

IUPAC2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1cccc(F)c1
InChIInChI=1S/C23H28ClFN2O2/c1-3-5-12-19(13-6-4-2)27(23(29)17-10-9-11-18(25)16-17)26-22(28)20-14-7-8-15-21(20)24/h7-11,14-16,19H,3-6,12-13H2,1-2H3,(H,26,28)
InChIKeyUUDVJXBRQFYJGS-UHFFFAOYSA-N
MW418.94 g/mol
LogP6.02
Rot. Bonds9

About 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide

2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide (PubChem CID 42645372) has the molecular formula C23H28ClFN2O2 and a molecular weight of 418.94 g/mol. Its IUPAC name is 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
PubChem CID42645372
Molecular FormulaC23H28ClFN2O2
Molecular Weight418.94 g/mol
Exact Mass418.18
IUPAC Name2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1cccc(F)c1
InChIInChI=1S/C23H28ClFN2O2/c1-3-5-12-19(13-6-4-2)27(23(29)17-10-9-11-18(25)16-17)26-22(28)20-14-7-8-15-21(20)24/h7-11,14-16,19H,3-6,12-13H2,1-2H3,(H,26,28)
InChIKeyUUDVJXBRQFYJGS-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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Related Compounds

Halofenozide
CID 114994
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
Benzoic acid, 2,4-dichloro-, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
CID 181402
N'-benzoyl-N-tert-butyl-2-chlorobenzohydrazide
CID 14626542
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N-tert-butyl-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 15617803
N-tert-butyl-2-chloro-N'-(2-methylbenzoyl)benzohydrazide
CID 23276436
N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide
CID 23276437
N-tert-butyl-2-chloro-N'-(3-methylbenzoyl)benzohydrazide
CID 23276438
Ochlorodibenzoyl1tbutylhydrazine4fluoro
CID 23276455
N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazide
CID 14626540
2-Chloro-N-(1-phenylethyl)benzamide
CID 2869527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
The IUPAC name of 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide (CID 42645372) is 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
The canonical SMILES for 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide is CCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
The InChIKey is UUDVJXBRQFYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O2/c1-3-5-12-19(13-6-4-2)27(23(29)17-10-9-11-18(25)16-17)26-22(28)20-14-7-8-15-21(20)24/h7-11,14-16,19H,3-6,12-13H2,1-2H3,(H,26,28).
What are the key properties of 2-chloro-N'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide?
2-chloro-N'-(3-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'-(3-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide is sourced from PubChem (CID 42645372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).