N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide

C20H16Cl2N2O4 — CID 4513496

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2O4/c21-15-6-8-18(17(22)10-15)28-12-20(26)24-23-19(25)11-27-16-7-5-13-3-1-2-4-14(13)9-16/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyJFDWTFLQUOCOMM-UHFFFAOYSA-N
MW419.26 g/mol
LogP3.75
Rot. Bonds6

About N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide (PubChem CID 4513496) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
PubChem CID4513496
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2O4/c21-15-6-8-18(17(22)10-15)28-12-20(26)24-23-19(25)11-27-16-7-5-13-3-1-2-4-14(13)9-16/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyJFDWTFLQUOCOMM-UHFFFAOYSA-N
XLogP3.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 53.75
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-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4632609
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22543732
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 7372915
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide (CID 4513496) is N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
The InChIKey is JFDWTFLQUOCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c21-15-6-8-18(17(22)10-15)28-12-20(26)24-23-19(25)11-27-16-7-5-13-3-1-2-4-14(13)9-16/h1-10H,11-12H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide has a molecular weight of 419.26 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide is sourced from PubChem (CID 4513496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).