N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide

C21H18Br2N2O3 — CID 6876568

IUPACN-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
SMILESCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C21H18Br2N2O3/c1-2-27-18-10-8-16(22)11-15(18)12-24-25-20(26)13-28-19-9-7-14-5-3-4-6-17(14)21(19)23/h3-12H,2,13H2,1H3,(H,25,26)/b24-12+
InChIKeyYEYRULLOBFUOJM-WYMPLXKRSA-N
MW506.19 g/mol
LogP5.29
Rot. Bonds7

About N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide

N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide (PubChem CID 6876568) has the molecular formula C21H18Br2N2O3 and a molecular weight of 506.19 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
PubChem CID6876568
Molecular FormulaC21H18Br2N2O3
Molecular Weight506.19 g/mol
Exact Mass503.97
IUPAC NameN-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
SMILESCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C21H18Br2N2O3/c1-2-27-18-10-8-16(22)11-15(18)12-24-25-20(26)13-28-19-9-7-14-5-3-4-6-17(14)21(19)23/h3-12H,2,13H2,1H3,(H,25,26)/b24-12+
InChIKeyYEYRULLOBFUOJM-WYMPLXKRSA-N
XLogP5.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.19
LogP ≤ 55.29
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

[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 51060313
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
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
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 51060241
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 4534549
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4649867
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide (CID 6876568) is N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide is CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The InChIKey is YEYRULLOBFUOJM-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H18Br2N2O3/c1-2-27-18-10-8-16(22)11-15(18)12-24-25-20(26)13-28-19-9-7-14-5-3-4-6-17(14)21(19)23/h3-12H,2,13H2,1H3,(H,25,26)/b24-12+.
What are the key properties of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide?
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide has a molecular weight of 506.19 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 6876568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).