2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide

C20H17BrN2O2 — CID 1153983

IUPAC2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H17BrN2O2/c1-14(15-7-3-2-4-8-15)22-23-20(24)13-25-19-12-11-18(21)16-9-5-6-10-17(16)19/h2-12H,13H2,1H3,(H,23,24)
InChIKeyRWOXMKNCELUWCY-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.52
Rot. Bonds5

About 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide

2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide (PubChem CID 1153983) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
PubChem CID1153983
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H17BrN2O2/c1-14(15-7-3-2-4-8-15)22-23-20(24)13-25-19-12-11-18(21)16-9-5-6-10-17(16)19/h2-12H,13H2,1H3,(H,23,24)
InChIKeyRWOXMKNCELUWCY-UHFFFAOYSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.52
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-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 41290473
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 6246040
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide (CID 1153983) is 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(Br)c2ccccc12)c1ccccc1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide?
The InChIKey is RWOXMKNCELUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-14(15-7-3-2-4-8-15)22-23-20(24)13-25-19-12-11-18(21)16-9-5-6-10-17(16)19/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide?
2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide has a molecular weight of 397.27 g/mol, XLogP of 4.52, 5 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-(1-phenylethylideneamino)acetamide is sourced from PubChem (CID 1153983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).