2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide

C21H17BrN2O2 — CID 129437793

IUPAC2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(COc1ccc(Br)c2ccccc12)NN=C/C=C/c1ccccc1
InChIInChI=1S/C21H17BrN2O2/c22-19-12-13-20(18-11-5-4-10-17(18)19)26-15-21(25)24-23-14-6-9-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25)/b9-6+,23-14?
InChIKeyBQVIPXXUNOHHET-NNQNRFHUSA-N
MW409.28 g/mol
LogP4.80
Rot. Bonds6

About 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 129437793) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID129437793
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(COc1ccc(Br)c2ccccc12)NN=C/C=C/c1ccccc1
InChIInChI=1S/C21H17BrN2O2/c22-19-12-13-20(18-11-5-4-10-17(18)19)26-15-21(25)24-23-14-6-9-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25)/b9-6+,23-14?
InChIKeyBQVIPXXUNOHHET-NNQNRFHUSA-N
XLogP4.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 41271374
2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
CID 1153983
2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6875330

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 129437793) is 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide is O=C(COc1ccc(Br)c2ccccc12)NN=C/C=C/c1ccccc1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is BQVIPXXUNOHHET-NNQNRFHUSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-19-12-13-20(18-11-5-4-10-17(18)19)26-15-21(25)24-23-14-6-9-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25)/b9-6+,23-14?.
What are the key properties of 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 409.28 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 129437793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).