N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide

C12H13ClN2O3 — CID 923350

IUPACN'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)C1CC1
InChIInChI=1S/C12H13ClN2O3/c13-9-3-5-10(6-4-9)18-7-11(16)14-15-12(17)8-1-2-8/h3-6,8H,1-2,7H2,(H,14,16)(H,15,17)
InChIKeyMGDLHIFZEKKWKL-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.28
Rot. Bonds4

About N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide

N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide (PubChem CID 923350) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
PubChem CID923350
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)C1CC1
InChIInChI=1S/C12H13ClN2O3/c13-9-3-5-10(6-4-9)18-7-11(16)14-15-12(17)8-1-2-8/h3-6,8H,1-2,7H2,(H,14,16)(H,15,17)
InChIKeyMGDLHIFZEKKWKL-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
propyl 4-[2-oxo-2-[2-[4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarbonyl]hydrazinyl]ethoxy]benzoate
CID 4928350
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide (CID 923350) is N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)C1CC1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide?
The InChIKey is MGDLHIFZEKKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-9-3-5-10(6-4-9)18-7-11(16)14-15-12(17)8-1-2-8/h3-6,8H,1-2,7H2,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide has a molecular weight of 268.70 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 923350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).