2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide

C19H15BrN2O5 — CID 2960961

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C19H15BrN2O5/c1-26-13-7-8-15(16(10-13)22(24)25)21-18(23)11-27-17-9-6-12-4-2-3-5-14(12)19(17)20/h2-10H,11H2,1H3,(H,21,23)
InChIKeyJQZBPVCQQZDWEU-UHFFFAOYSA-N
MW431.24 g/mol
LogP4.54
Rot. Bonds6

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

2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 2960961) has the molecular formula C19H15BrN2O5 and a molecular weight of 431.24 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID2960961
Molecular FormulaC19H15BrN2O5
Molecular Weight431.24 g/mol
Exact Mass430.02
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C19H15BrN2O5/c1-26-13-7-8-15(16(10-13)22(24)25)21-18(23)11-27-17-9-6-12-4-2-3-5-14(12)19(17)20/h2-10H,11H2,1H3,(H,21,23)
InChIKeyJQZBPVCQQZDWEU-UHFFFAOYSA-N
XLogP4.54
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578589
N-(4-methoxy-2-nitrophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3953912

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide (CID 2960961) is 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is JQZBPVCQQZDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O5/c1-26-13-7-8-15(16(10-13)22(24)25)21-18(23)11-27-17-9-6-12-4-2-3-5-14(12)19(17)20/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 431.24 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 2960961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).