N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide

C19H14BrNO4 — CID 7786798

IUPACN-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14BrNO4/c20-14-3-1-13-8-16(5-2-12(13)7-14)23-10-19(22)21-15-4-6-17-18(9-15)25-11-24-17/h1-9H,10-11H2,(H,21,22)
InChIKeyBQNZMWWEBYSKCQ-UHFFFAOYSA-N
MW400.23 g/mol
LogP4.35
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide

N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide (PubChem CID 7786798) has the molecular formula C19H14BrNO4 and a molecular weight of 400.23 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
PubChem CID7786798
Molecular FormulaC19H14BrNO4
Molecular Weight400.23 g/mol
Exact Mass399.01
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14BrNO4/c20-14-3-1-13-8-16(5-2-12(13)7-14)23-10-19(22)21-15-4-6-17-18(9-15)25-11-24-17/h1-9H,10-11H2,(H,21,22)
InChIKeyBQNZMWWEBYSKCQ-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730
1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 47079144
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 39411957
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide
CID 3872632
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide (CID 7786798) is N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide is O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The InChIKey is BQNZMWWEBYSKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO4/c20-14-3-1-13-8-16(5-2-12(13)7-14)23-10-19(22)21-15-4-6-17-18(9-15)25-11-24-17/h1-9H,10-11H2,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide has a molecular weight of 400.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7786798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).