2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide

C17H14BrN3O2 — CID 135643049

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc[nH]1
InChIInChI=1S/C17H14BrN3O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)23-11-16(22)21-20-10-13-5-3-9-19-13/h1-10,19H,11H2,(H,21,22)/b20-10+
InChIKeyNTKDFJBJNPDFSS-KEBDBYFISA-N
MW372.22 g/mol
LogP3.46
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide (PubChem CID 135643049) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
PubChem CID135643049
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc[nH]1
InChIInChI=1S/C17H14BrN3O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)23-11-16(22)21-20-10-13-5-3-9-19-13/h1-10,19H,11H2,(H,21,22)/b20-10+
InChIKeyNTKDFJBJNPDFSS-KEBDBYFISA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide (CID 135643049) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide is O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc[nH]1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The InChIKey is NTKDFJBJNPDFSS-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)23-11-16(22)21-20-10-13-5-3-9-19-13/h1-10,19H,11H2,(H,21,22)/b20-10+.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide has a molecular weight of 372.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 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)-1H-pyrrol-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 135643049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).