N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide

C23H29ClN2O2 — CID 42645151

IUPACN'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C23H29ClN2O2/c1-3-5-14-19(15-6-4-2)26(23(28)18-12-8-7-9-13-18)25-22(27)20-16-10-11-17-21(20)24/h7-13,16-17,19H,3-6,14-15H2,1-2H3,(H,25,27)
InChIKeyQZJSXXQDJAGUJF-UHFFFAOYSA-N
MW400.95 g/mol
LogP5.88
Rot. Bonds9

About N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide

N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide (PubChem CID 42645151) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide
PubChem CID42645151
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide
SMILESCCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C23H29ClN2O2/c1-3-5-14-19(15-6-4-2)26(23(28)18-12-8-7-9-13-18)25-22(27)20-16-10-11-17-21(20)24/h7-13,16-17,19H,3-6,14-15H2,1-2H3,(H,25,27)
InChIKeyQZJSXXQDJAGUJF-UHFFFAOYSA-N
XLogP5.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 55.88
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 N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide?
The IUPAC name of N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide (CID 42645151) is N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide?
The canonical SMILES for N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide is CCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide?
The InChIKey is QZJSXXQDJAGUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-3-5-14-19(15-6-4-2)26(23(28)18-12-8-7-9-13-18)25-22(27)20-16-10-11-17-21(20)24/h7-13,16-17,19H,3-6,14-15H2,1-2H3,(H,25,27).
What are the key properties of N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide?
N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide has a molecular weight of 400.95 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-chloro-N'-nonan-5-ylbenzohydrazide is sourced from PubChem (CID 42645151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).