3-[(2-chlorophenyl)methoxy]propanehydrazide

C10H13ClN2O2 — CID 63586466

IUPAC3-[(2-chlorophenyl)methoxy]propanehydrazide
SMILESNNC(=O)CCOCc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c11-9-4-2-1-3-8(9)7-15-6-5-10(14)13-12/h1-4H,5-7,12H2,(H,13,14)
InChIKeyFPBGUNJHPYUCAE-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.24
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxy]propanehydrazide

3-[(2-chlorophenyl)methoxy]propanehydrazide (PubChem CID 63586466) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]propanehydrazide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]propanehydrazide
PubChem CID63586466
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-[(2-chlorophenyl)methoxy]propanehydrazide
SMILESNNC(=O)CCOCc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c11-9-4-2-1-3-8(9)7-15-6-5-10(14)13-12/h1-4H,5-7,12H2,(H,13,14)
InChIKeyFPBGUNJHPYUCAE-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.24
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-[(2-chlorophenyl)methoxy]butan-2-one
CID 62030218
3-[(2-chlorophenyl)methoxy]-N'-hydroxypropanimidamide
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1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
3-[(2-chlorophenyl)methoxy]propanal
CID 63038724
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
O-[(2-chlorophenyl)methyl] N-aminocarbamothioate;hydrochloride
CID 164664890
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
CID 87040393
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
CID 81091609
2-[(2-chlorophenyl)methoxy]-2-phenylacetohydrazide
CID 63588720

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]propanehydrazide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]propanehydrazide (CID 63586466) is 3-[(2-chlorophenyl)methoxy]propanehydrazide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]propanehydrazide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]propanehydrazide is NNC(=O)CCOCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]propanehydrazide?
The InChIKey is FPBGUNJHPYUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-4-2-1-3-8(9)7-15-6-5-10(14)13-12/h1-4H,5-7,12H2,(H,13,14).
What are the key properties of 3-[(2-chlorophenyl)methoxy]propanehydrazide?
3-[(2-chlorophenyl)methoxy]propanehydrazide has a molecular weight of 228.68 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]propanehydrazide is sourced from PubChem (CID 63586466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).