2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide

C27H21BrN2O2 — CID 4635210

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NN=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H21BrN2O2/c28-27-23-14-8-7-11-21(23)16-18-25(27)32-19-26(31)30-29-24(22-12-5-2-6-13-22)17-15-20-9-3-1-4-10-20/h1-18H,19H2,(H,30,31)
InChIKeyPMTGAEUPTAVWOG-UHFFFAOYSA-N
MW485.38 g/mol
LogP6.22
Rot. Bonds7

About 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide (PubChem CID 4635210) has the molecular formula C27H21BrN2O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide
PubChem CID4635210
Molecular FormulaC27H21BrN2O2
Molecular Weight485.38 g/mol
Exact Mass484.08
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NN=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H21BrN2O2/c28-27-23-14-8-7-11-21(23)16-18-25(27)32-19-26(31)30-29-24(22-12-5-2-6-13-22)17-15-20-9-3-1-4-10-20/h1-18H,19H2,(H,30,31)
InChIKeyPMTGAEUPTAVWOG-UHFFFAOYSA-N
XLogP6.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 56.22
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-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3255207
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
CID 7269676
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785322
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4649867
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 51060241
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4633369
ethyl (2R,3Z)-3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]-2-ethylbutanoate
CID 98073371
ethyl (2S,3E)-3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]-2-ethylbutanoate
CID 42370751

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide (CID 4635210) is 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide is O=C(COc1ccc2ccccc2c1Br)NN=C(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide?
The InChIKey is PMTGAEUPTAVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O2/c28-27-23-14-8-7-11-21(23)16-18-25(27)32-19-26(31)30-29-24(22-12-5-2-6-13-22)17-15-20-9-3-1-4-10-20/h1-18H,19H2,(H,30,31).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide has a molecular weight of 485.38 g/mol, XLogP of 6.22, 7 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-(1,3-diphenylprop-2-enylideneamino)acetamide is sourced from PubChem (CID 4635210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).