2-(3-chlorophenoxy)propanehydrazide

C9H11ClN2O2 — CID 2832641

IUPAC2-(3-chlorophenoxy)propanehydrazide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NN
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyJWCIAHXGSIKKMH-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.10
Rot. Bonds3

About 2-(3-chlorophenoxy)propanehydrazide

2-(3-chlorophenoxy)propanehydrazide (PubChem CID 2832641) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)propanehydrazide
PubChem CID2832641
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-(3-chlorophenoxy)propanehydrazide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NN
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyJWCIAHXGSIKKMH-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.10
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

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-phenoxyphenoxy)propanehydrazide
CID 63576934

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)propanehydrazide?
The IUPAC name of 2-(3-chlorophenoxy)propanehydrazide (CID 2832641) is 2-(3-chlorophenoxy)propanehydrazide.
What is the SMILES notation for 2-(3-chlorophenoxy)propanehydrazide?
The canonical SMILES for 2-(3-chlorophenoxy)propanehydrazide is CC(Oc1cccc(Cl)c1)C(=O)NN.
What is the InChIKey of 2-(3-chlorophenoxy)propanehydrazide?
The InChIKey is JWCIAHXGSIKKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(9(13)12-11)14-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-chlorophenoxy)propanehydrazide?
2-(3-chlorophenoxy)propanehydrazide has a molecular weight of 214.65 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)propanehydrazide is sourced from PubChem (CID 2832641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).