2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide

C16H17BrN2O2 — CID 7269676

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
SMILESCC/C(C)=N/NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrN2O2/c1-3-11(2)18-19-15(20)10-21-14-9-8-12-6-4-5-7-13(12)16(14)17/h4-9H,3,10H2,1-2H3,(H,19,20)/b18-11+
InChIKeyMRNPWEJWUCGPJA-WOJGMQOQSA-N
MW349.23 g/mol
LogP3.88
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide (PubChem CID 7269676) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
PubChem CID7269676
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
SMILESCC/C(C)=N/NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrN2O2/c1-3-11(2)18-19-15(20)10-21-14-9-8-12-6-4-5-7-13(12)16(14)17/h4-9H,3,10H2,1-2H3,(H,19,20)/b18-11+
InChIKeyMRNPWEJWUCGPJA-WOJGMQOQSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.88
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

2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785322
ethyl (2S,3E)-3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]-2-ethylbutanoate
CID 42370751
ethyl (2R,3Z)-3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]-2-ethylbutanoate
CID 98073371
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide
CID 4635210
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide (CID 7269676) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide is CC/C(C)=N/NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide?
The InChIKey is MRNPWEJWUCGPJA-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-11(2)18-19-15(20)10-21-14-9-8-12-6-4-5-7-13(12)16(14)17/h4-9H,3,10H2,1-2H3,(H,19,20)/b18-11+.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide is sourced from PubChem (CID 7269676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).