N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide

C20H16BrClN2O4 — CID 4632609

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C20H16BrClN2O4/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)
InChIKeyLYGYPVFKJUJVNF-UHFFFAOYSA-N
MW463.72 g/mol
LogP3.86
Rot. Bonds6

About N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide (PubChem CID 4632609) has the molecular formula C20H16BrClN2O4 and a molecular weight of 463.72 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
PubChem CID4632609
Molecular FormulaC20H16BrClN2O4
Molecular Weight463.72 g/mol
Exact Mass462.00
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C20H16BrClN2O4/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)
InChIKeyLYGYPVFKJUJVNF-UHFFFAOYSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.72
LogP ≤ 53.86
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-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
2-(2,4-dibromophenoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]acetamide
CID 4505568
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 4632407
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
ethyl 4-[2-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932707
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide (CID 4632609) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
The InChIKey is LYGYPVFKJUJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O4/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-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide has a molecular weight of 463.72 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide is sourced from PubChem (CID 4632609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).