N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide

C17H16Cl2N2O4 — CID 5186778

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O4/c1-11-8-13(19)4-7-15(11)25-10-17(23)21-20-16(22)9-24-14-5-2-12(18)3-6-14/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeySBMOFEMFUPFGFO-UHFFFAOYSA-N
MW383.23 g/mol
LogP2.91
Rot. Bonds6

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide (PubChem CID 5186778) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
PubChem CID5186778
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O4/c1-11-8-13(19)4-7-15(11)25-10-17(23)21-20-16(22)9-24-14-5-2-12(18)3-6-14/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeySBMOFEMFUPFGFO-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 52.91
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

4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9317091
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237851
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide (CID 5186778) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
The InChIKey is SBMOFEMFUPFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-11-8-13(19)4-7-15(11)25-10-17(23)21-20-16(22)9-24-14-5-2-12(18)3-6-14/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide has a molecular weight of 383.23 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide is sourced from PubChem (CID 5186778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).