[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C18H17ClN2O6 — CID 7567613

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H17ClN2O6/c1-11-2-7-14(15(22)8-11)18(25)27-10-17(24)21-20-16(23)9-26-13-5-3-12(19)4-6-13/h2-8,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyLNZYCQWFSFKDTG-UHFFFAOYSA-N
MW392.80 g/mol
LogP1.74
Rot. Bonds6

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 7567613) has the molecular formula C18H17ClN2O6 and a molecular weight of 392.80 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID7567613
Molecular FormulaC18H17ClN2O6
Molecular Weight392.80 g/mol
Exact Mass392.08
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H17ClN2O6/c1-11-2-7-14(15(22)8-11)18(25)27-10-17(24)21-20-16(23)9-26-13-5-3-12(19)4-6-13/h2-8,22H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyLNZYCQWFSFKDTG-UHFFFAOYSA-N
XLogP1.74
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 7567613) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is LNZYCQWFSFKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O6/c1-11-2-7-14(15(22)8-11)18(25)27-10-17(24)21-20-16(23)9-26-13-5-3-12(19)4-6-13/h2-8,22H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 392.80 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 7567613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).