[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate

C29H24Cl2N2O5 — CID 4090606

IUPAC[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C29H24Cl2N2O5/c30-23-10-14-27(26(31)17-23)36-15-3-6-29(35)38-24-11-7-20(8-12-24)18-32-33-28(34)19-37-25-13-9-21-4-1-2-5-22(21)16-25/h1-2,4-5,7-14,16-18H,3,6,15,19H2,(H,33,34)
InChIKeyUSIJWAKVOFWJET-UHFFFAOYSA-N
MW551.43 g/mol
LogP6.44
Rot. Bonds11

About [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate

[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate (PubChem CID 4090606) has the molecular formula C29H24Cl2N2O5 and a molecular weight of 551.43 g/mol. Its IUPAC name is [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate.

Molecular Properties

Compound Name[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
PubChem CID4090606
Molecular FormulaC29H24Cl2N2O5
Molecular Weight551.43 g/mol
Exact Mass550.11
IUPAC Name[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C29H24Cl2N2O5/c30-23-10-14-27(26(31)17-23)36-15-3-6-29(35)38-24-11-7-20(8-12-24)18-32-33-28(34)19-37-25-13-9-21-4-1-2-5-22(21)16-25/h1-2,4-5,7-14,16-18H,3,6,15,19H2,(H,33,34)
InChIKeyUSIJWAKVOFWJET-UHFFFAOYSA-N
XLogP6.44
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.43
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4073981
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3649367
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 4077360
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
propan-2-yl 2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 40988895
[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 3661355

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate?
The IUPAC name of [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate (CID 4090606) is [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate.
What is the SMILES notation for [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate?
The canonical SMILES for [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate is O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate?
The InChIKey is USIJWAKVOFWJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O5/c30-23-10-14-27(26(31)17-23)36-15-3-6-29(35)38-24-11-7-20(8-12-24)18-32-33-28(34)19-37-25-13-9-21-4-1-2-5-22(21)16-25/h1-2,4-5,7-14,16-18H,3,6,15,19H2,(H,33,34).
What are the key properties of [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate?
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate has a molecular weight of 551.43 g/mol, XLogP of 6.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate is sourced from PubChem (CID 4090606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).