2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

C32H22Br4N4O4 — CID 3358158

IUPAC2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C32H22Br4N4O4/c33-23-7-9-25-21(13-23)5-11-27(31(25)35)43-17-29(41)39-37-15-19-1-2-20(4-3-19)16-38-40-30(42)18-44-28-12-6-22-14-24(34)8-10-26(22)32(28)36/h1-16H,17-18H2,(H,39,41)(H,40,42)
InChIKeyPZMZTSKZBXVYTO-UHFFFAOYSA-N
MW846.17 g/mol
LogP8.10
Rot. Bonds10

About 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (PubChem CID 3358158) has the molecular formula C32H22Br4N4O4 and a molecular weight of 846.17 g/mol. Its IUPAC name is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
PubChem CID3358158
Molecular FormulaC32H22Br4N4O4
Molecular Weight846.17 g/mol
Exact Mass841.84
IUPAC Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C32H22Br4N4O4/c33-23-7-9-25-21(13-23)5-11-27(31(25)35)43-17-29(41)39-37-15-19-1-2-20(4-3-19)16-38-40-30(42)18-44-28-12-6-22-14-24(34)8-10-26(22)32(28)36/h1-16H,17-18H2,(H,39,41)(H,40,42)
InChIKeyPZMZTSKZBXVYTO-UHFFFAOYSA-N
XLogP8.10
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.17
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 3350501
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3350510
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560539
[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 3350505
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 3349452
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3350513
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4633369
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 41270248

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (CID 3358158) is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1.
What is the InChIKey of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The InChIKey is PZMZTSKZBXVYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Br4N4O4/c33-23-7-9-25-21(13-23)5-11-27(31(25)35)43-17-29(41)39-37-15-19-1-2-20(4-3-19)16-38-40-30(42)18-44-28-12-6-22-14-24(34)8-10-26(22)32(28)36/h1-16H,17-18H2,(H,39,41)(H,40,42).
What are the key properties of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide has a molecular weight of 846.17 g/mol, XLogP of 8.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 3358158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).