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

C27H23BrN2O2 — CID 54785322

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc2ccccc2c1Br)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23BrN2O2/c1-19(26(21-11-4-2-5-12-21)22-13-6-3-7-14-22)29-30-25(31)18-32-24-17-16-20-10-8-9-15-23(20)27(24)28/h2-17,26H,18H2,1H3,(H,30,31)/b29-19+
InChIKeyJWHITHXBAGBJIG-VUTHCHCSSA-N
MW487.40 g/mol
LogP6.31
Rot. Bonds7

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

2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide (PubChem CID 54785322) has the molecular formula C27H23BrN2O2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
PubChem CID54785322
Molecular FormulaC27H23BrN2O2
Molecular Weight487.40 g/mol
Exact Mass486.09
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc2ccccc2c1Br)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23BrN2O2/c1-19(26(21-11-4-2-5-12-21)22-13-6-3-7-14-22)29-30-25(31)18-32-24-17-16-20-10-8-9-15-23(20)27(24)28/h2-17,26H,18H2,1H3,(H,30,31)/b29-19+
InChIKeyJWHITHXBAGBJIG-VUTHCHCSSA-N
XLogP6.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 56.31
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)-butan-2-ylideneamino]acetamide
CID 7269676
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-(2-bromo-4-tert-butylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785246
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
2-(2,4-dichlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785241
2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785277
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-ethoxyacetamide
CID 54785224
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-diphenylprop-2-enylideneamino)acetamide
CID 4635210
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide (CID 54785322) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The InChIKey is JWHITHXBAGBJIG-VUTHCHCSSA-N. The full InChI is InChI=1S/C27H23BrN2O2/c1-19(26(21-11-4-2-5-12-21)22-13-6-3-7-14-22)29-30-25(31)18-32-24-17-16-20-10-8-9-15-23(20)27(24)28/h2-17,26H,18H2,1H3,(H,30,31)/b29-19+.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide has a molecular weight of 487.40 g/mol, XLogP of 6.31, 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-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide is sourced from PubChem (CID 54785322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).