(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide

C13H15ClN2O4 — CID 40562072

IUPAC(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H15ClN2O4/c14-9-3-5-10(6-4-9)20-8-12(17)15-16-13(18)11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyVNMJZJLQMRZABQ-LLVKDONJSA-N
MW298.73 g/mol
LogP1.05
Rot. Bonds4

About (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide

(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide (PubChem CID 40562072) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
PubChem CID40562072
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H15ClN2O4/c14-9-3-5-10(6-4-9)20-8-12(17)15-16-13(18)11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyVNMJZJLQMRZABQ-LLVKDONJSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
N'-(2-naphthalen-1-yloxyacetyl)oxolane-2-carbohydrazide
CID 2870823
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
N'-[2-(4-chlorophenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2788339
N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 2873188
2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 95973535
2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7263699

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide (CID 40562072) is (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide?
The InChIKey is VNMJZJLQMRZABQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-9-3-5-10(6-4-9)20-8-12(17)15-16-13(18)11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide?
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide has a molecular weight of 298.73 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 40562072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).