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

C13H15ClN2O3 — CID 5343509

IUPACN'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCCO1
InChIInChI=1S/C13H15ClN2O3/c14-10-5-3-9(4-6-10)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)
InChIKeyFAUCWCYEOIOZCC-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.21
Rot. Bonds3

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

N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide (PubChem CID 5343509) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
PubChem CID5343509
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCCO1
InChIInChI=1S/C13H15ClN2O3/c14-10-5-3-9(4-6-10)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)
InChIKeyFAUCWCYEOIOZCC-UHFFFAOYSA-N
XLogP1.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.21
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

(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
CID 60556517
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
CID 86991486
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805
N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide
CID 60556236
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide (CID 5343509) is N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCCO1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide?
The InChIKey is FAUCWCYEOIOZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-5-3-9(4-6-10)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).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide has a molecular weight of 282.73 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 5343509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).