2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide

C24H18Br2N2O3 — CID 3350513

IUPAC2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c2ccccc12
InChIInChI=1S/C24H18Br2N2O3/c1-30-21-10-7-16(18-4-2-3-5-20(18)21)13-27-28-23(29)14-31-22-11-6-15-12-17(25)8-9-19(15)24(22)26/h2-13H,14H2,1H3,(H,28,29)
InChIKeyIENJPUYGYVIQKU-UHFFFAOYSA-N
MW542.23 g/mol
LogP6.06
Rot. Bonds6

About 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 3350513) has the molecular formula C24H18Br2N2O3 and a molecular weight of 542.23 g/mol. Its IUPAC name is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID3350513
Molecular FormulaC24H18Br2N2O3
Molecular Weight542.23 g/mol
Exact Mass539.97
IUPAC Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c2ccccc12
InChIInChI=1S/C24H18Br2N2O3/c1-30-21-10-7-16(18-4-2-3-5-20(18)21)13-27-28-23(29)14-31-22-11-6-15-12-17(25)8-9-19(15)24(22)26/h2-13H,14H2,1H3,(H,28,29)
InChIKeyIENJPUYGYVIQKU-UHFFFAOYSA-N
XLogP6.06
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.23
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560539
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3350510
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 3350505
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 51060313
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 3349452
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 3350501

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide (CID 3350513) is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c2ccccc12.
What is the InChIKey of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is IENJPUYGYVIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O3/c1-30-21-10-7-16(18-4-2-3-5-20(18)21)13-27-28-23(29)14-31-22-11-6-15-12-17(25)8-9-19(15)24(22)26/h2-13H,14H2,1H3,(H,28,29).
What are the key properties of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 542.23 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 3350513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).