2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

C15H12BrClN2O5 — CID 19202489

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrClN2O5/c1-23-10-3-4-12(13(7-10)19(21)22)18-15(20)8-24-14-5-2-9(17)6-11(14)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyWRXDRINNGLKXLX-UHFFFAOYSA-N
MW415.63 g/mol
LogP4.04
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 19202489) has the molecular formula C15H12BrClN2O5 and a molecular weight of 415.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID19202489
Molecular FormulaC15H12BrClN2O5
Molecular Weight415.63 g/mol
Exact Mass413.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrClN2O5/c1-23-10-3-4-12(13(7-10)19(21)22)18-15(20)8-24-14-5-2-9(17)6-11(14)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyWRXDRINNGLKXLX-UHFFFAOYSA-N
XLogP4.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 54.04
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

N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 7484411
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4967870
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7787669
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide
CID 19202481
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 19202489) is 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is WRXDRINNGLKXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O5/c1-23-10-3-4-12(13(7-10)19(21)22)18-15(20)8-24-14-5-2-9(17)6-11(14)16/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 415.63 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 19202489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).