2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide

C16H15BrClN3O4 — CID 24615148

IUPAC2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15BrClN3O4/c1-2-25-16-13(17)7-10(18)8-14(16)19-9-15(22)20-11-3-5-12(6-4-11)21(23)24/h3-8,19H,2,9H2,1H3,(H,20,22)
InChIKeyTVXRBOFNUKKCSV-UHFFFAOYSA-N
MW428.67 g/mol
LogP4.46
Rot. Bonds7

About 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide (PubChem CID 24615148) has the molecular formula C16H15BrClN3O4 and a molecular weight of 428.67 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
PubChem CID24615148
Molecular FormulaC16H15BrClN3O4
Molecular Weight428.67 g/mol
Exact Mass426.99
IUPAC Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15BrClN3O4/c1-2-25-16-13(17)7-10(18)8-14(16)19-9-15(22)20-11-3-5-12(6-4-11)21(23)24/h3-8,19H,2,9H2,1H3,(H,20,22)
InChIKeyTVXRBOFNUKKCSV-UHFFFAOYSA-N
XLogP4.46
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.67
LogP ≤ 54.46
H-Bond Donors ≤ 52
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-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 24615139
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24615172
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide
CID 26159725
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide
CID 86829368
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 17095298
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 17095292
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
methyl 3-methyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 24662260
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide (CID 24615148) is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide is CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide?
The InChIKey is TVXRBOFNUKKCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O4/c1-2-25-16-13(17)7-10(18)8-14(16)19-9-15(22)20-11-3-5-12(6-4-11)21(23)24/h3-8,19H,2,9H2,1H3,(H,20,22).
What are the key properties of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide?
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide has a molecular weight of 428.67 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 24615148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).