[2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate

C14H19ClN2O4 — CID 90838890

IUPAC[2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate
SMILESCCCCC(=O)ONN(C(C)=O)c1cccc(OC)c1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-5-9-13(19)21-16-17(10(2)18)11-7-6-8-12(20-3)14(11)15/h6-8,16H,4-5,9H2,1-3H3
InChIKeyNQGQROWNHDUGPI-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.85
Rot. Bonds7

About [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate

[2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate (PubChem CID 90838890) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate.

Molecular Properties

Compound Name[2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate
PubChem CID90838890
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name[2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate
SMILESCCCCC(=O)ONN(C(C)=O)c1cccc(OC)c1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-5-9-13(19)21-16-17(10(2)18)11-7-6-8-12(20-3)14(11)15/h6-8,16H,4-5,9H2,1-3H3
InChIKeyNQGQROWNHDUGPI-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate?
The IUPAC name of [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate (CID 90838890) is [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate.
What is the SMILES notation for [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate?
The canonical SMILES for [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate is CCCCC(=O)ONN(C(C)=O)c1cccc(OC)c1Cl.
What is the InChIKey of [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate?
The InChIKey is NQGQROWNHDUGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-5-9-13(19)21-16-17(10(2)18)11-7-6-8-12(20-3)14(11)15/h6-8,16H,4-5,9H2,1-3H3.
What are the key properties of [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate?
[2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate has a molecular weight of 314.77 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate is sourced from PubChem (CID 90838890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).