5-(3-chlorophenoxy)pentanehydrazide

C11H15ClN2O2 — CID 63575491

IUPAC5-(3-chlorophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c12-9-4-3-5-10(8-9)16-7-2-1-6-11(15)14-13/h3-5,8H,1-2,6-7,13H2,(H,14,15)
InChIKeyRJLNVCSNAKUDSM-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.88
Rot. Bonds6

About 5-(3-chlorophenoxy)pentanehydrazide

5-(3-chlorophenoxy)pentanehydrazide (PubChem CID 63575491) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)pentanehydrazide
PubChem CID63575491
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-(3-chlorophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c12-9-4-3-5-10(8-9)16-7-2-1-6-11(15)14-13/h3-5,8H,1-2,6-7,13H2,(H,14,15)
InChIKeyRJLNVCSNAKUDSM-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.88
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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Related Compounds

4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
3-(3-chlorophenoxy)propanamide
CID 23512799
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
CID 64601650
CID 131885829
CID 131885829
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)pentanehydrazide?
The IUPAC name of 5-(3-chlorophenoxy)pentanehydrazide (CID 63575491) is 5-(3-chlorophenoxy)pentanehydrazide.
What is the SMILES notation for 5-(3-chlorophenoxy)pentanehydrazide?
The canonical SMILES for 5-(3-chlorophenoxy)pentanehydrazide is NNC(=O)CCCCOc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenoxy)pentanehydrazide?
The InChIKey is RJLNVCSNAKUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-4-3-5-10(8-9)16-7-2-1-6-11(15)14-13/h3-5,8H,1-2,6-7,13H2,(H,14,15).
What are the key properties of 5-(3-chlorophenoxy)pentanehydrazide?
5-(3-chlorophenoxy)pentanehydrazide has a molecular weight of 242.71 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)pentanehydrazide is sourced from PubChem (CID 63575491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).