2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide

C21H19BrN2O3 — CID 19190726

IUPAC2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C21H19BrN2O3/c1-2-26-20-12-7-15-5-3-4-6-18(15)19(20)13-23-24-21(25)14-27-17-10-8-16(22)9-11-17/h3-13H,2,14H2,1H3,(H,24,25)/b23-13+
InChIKeyXCFXICUUIJJEQL-YDZHTSKRSA-N
MW427.30 g/mol
LogP4.53
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 19190726) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID19190726
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C21H19BrN2O3/c1-2-26-20-12-7-15-5-3-4-6-18(15)19(20)13-23-24-21(25)14-27-17-10-8-16(22)9-11-17/h3-13H,2,14H2,1H3,(H,24,25)/b23-13+
InChIKeyXCFXICUUIJJEQL-YDZHTSKRSA-N
XLogP4.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.53
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

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6881664
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4171408
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6871189
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
CID 3249643
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
[1-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3408916
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide (CID 19190726) is 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide is CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is XCFXICUUIJJEQL-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-2-26-20-12-7-15-5-3-4-6-18(15)19(20)13-23-24-21(25)14-27-17-10-8-16(22)9-11-17/h3-13H,2,14H2,1H3,(H,24,25)/b23-13+.
What are the key properties of 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 427.30 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 19190726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).