5-(4-chlorophenyl)-5-oxopentanehydrazide

C11H13ClN2O2 — CID 171817093

IUPAC5-(4-chlorophenyl)-5-oxopentanehydrazide
SMILESNNC(=O)CCCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-9-6-4-8(5-7-9)10(15)2-1-3-11(16)14-13/h4-7H,1-3,13H2,(H,14,16)
InChIKeyAKQJBMUFPPLWSA-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.68
Rot. Bonds5

About 5-(4-chlorophenyl)-5-oxopentanehydrazide

5-(4-chlorophenyl)-5-oxopentanehydrazide (PubChem CID 171817093) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-oxopentanehydrazide
PubChem CID171817093
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name5-(4-chlorophenyl)-5-oxopentanehydrazide
SMILESNNC(=O)CCCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-9-6-4-8(5-7-9)10(15)2-1-3-11(16)14-13/h4-7H,1-3,13H2,(H,14,16)
InChIKeyAKQJBMUFPPLWSA-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 61059745
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
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1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
hexanedihydrazide;pentanedihydrazide
CID 157195533
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
4-[4-(4-chlorophenyl)-4-oxobutanoyl]benzonitrile
CID 135368287
4-oxo-4-pyridin-4-ylbutanehydrazide
CID 173353561

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-oxopentanehydrazide?
The IUPAC name of 5-(4-chlorophenyl)-5-oxopentanehydrazide (CID 171817093) is 5-(4-chlorophenyl)-5-oxopentanehydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-5-oxopentanehydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-5-oxopentanehydrazide is NNC(=O)CCCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-5-oxopentanehydrazide?
The InChIKey is AKQJBMUFPPLWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-6-4-8(5-7-9)10(15)2-1-3-11(16)14-13/h4-7H,1-3,13H2,(H,14,16).
What are the key properties of 5-(4-chlorophenyl)-5-oxopentanehydrazide?
5-(4-chlorophenyl)-5-oxopentanehydrazide has a molecular weight of 240.69 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-oxopentanehydrazide is sourced from PubChem (CID 171817093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).