2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide

C20H15BrN2O2 — CID 43015910

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1
InChIInChI=1S/C20H15BrN2O2/c21-17-8-6-16-13-19(9-7-15(16)12-17)25-14-20(24)23(11-10-22)18-4-2-1-3-5-18/h1-9,12-13H,11,14H2
InChIKeyQEEAVSNHPMUNKI-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.54
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide

2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide (PubChem CID 43015910) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide
PubChem CID43015910
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1
InChIInChI=1S/C20H15BrN2O2/c21-17-8-6-16-13-19(9-7-15(16)12-17)25-14-20(24)23(11-10-22)18-4-2-1-3-5-18/h1-9,12-13H,11,14H2
InChIKeyQEEAVSNHPMUNKI-UHFFFAOYSA-N
XLogP4.54
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
CID 38899195
N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
CID 30834008
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
CID 55887630
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
5,7-dichloro-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 87415811
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 8509401
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535655
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 7775974
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 7985868
N-(cyanomethyl)-2-(2-formyl-4-nitrophenoxy)-N-phenylacetamide
CID 38925953
N-(cyanomethyl)-2-(4-methyl-2-nitrophenoxy)-N-phenylacetamide
CID 8564308

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide (CID 43015910) is 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide is N#CCN(C(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide?
The InChIKey is QEEAVSNHPMUNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c21-17-8-6-16-13-19(9-7-15(16)12-17)25-14-20(24)23(11-10-22)18-4-2-1-3-5-18/h1-9,12-13H,11,14H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide has a molecular weight of 395.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide is sourced from PubChem (CID 43015910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).