2-(4-chloro-3-pentadecylphenoxy)propanehydrazide

C24H41ClN2O2 — CID 3066808

IUPAC2-(4-chloro-3-pentadecylphenoxy)propanehydrazide
SMILESCCCCCCCCCCCCCCCc1cc(OC(C)C(=O)NN)ccc1Cl
InChIInChI=1S/C24H41ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-22(17-18-23(21)25)29-20(2)24(28)27-26/h17-20H,3-16,26H2,1-2H3,(H,27,28)
InChIKeyGVIPUWDLBSADQI-UHFFFAOYSA-N
MW425.06 g/mol
LogP6.73
Rot. Bonds17

About 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide

2-(4-chloro-3-pentadecylphenoxy)propanehydrazide (PubChem CID 3066808) has the molecular formula C24H41ClN2O2 and a molecular weight of 425.06 g/mol. Its IUPAC name is 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(4-chloro-3-pentadecylphenoxy)propanehydrazide
PubChem CID3066808
Molecular FormulaC24H41ClN2O2
Molecular Weight425.06 g/mol
Exact Mass424.29
IUPAC Name2-(4-chloro-3-pentadecylphenoxy)propanehydrazide
SMILESCCCCCCCCCCCCCCCc1cc(OC(C)C(=O)NN)ccc1Cl
InChIInChI=1S/C24H41ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-22(17-18-23(21)25)29-20(2)24(28)27-26/h17-20H,3-16,26H2,1-2H3,(H,27,28)
InChIKeyGVIPUWDLBSADQI-UHFFFAOYSA-N
XLogP6.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.06
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(4-chloro-3-pentadecylphenoxy)propanehydrazide?
The IUPAC name of 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide (CID 3066808) is 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide.
What is the SMILES notation for 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide?
The canonical SMILES for 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide is CCCCCCCCCCCCCCCc1cc(OC(C)C(=O)NN)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide?
The InChIKey is GVIPUWDLBSADQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-22(17-18-23(21)25)29-20(2)24(28)27-26/h17-20H,3-16,26H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide?
2-(4-chloro-3-pentadecylphenoxy)propanehydrazide has a molecular weight of 425.06 g/mol, XLogP of 6.73, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-pentadecylphenoxy)propanehydrazide is sourced from PubChem (CID 3066808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).