2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide

C16H14BrClN2O4 — CID 19202492

IUPAC2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrClN2O4/c1-2-10-7-11(17)3-6-15(10)24-9-16(21)19-12-4-5-13(18)14(8-12)20(22)23/h3-8H,2,9H2,1H3,(H,19,21)
InChIKeyJKTWFFRWTBJIOP-UHFFFAOYSA-N
MW413.66 g/mol
LogP4.59
Rot. Bonds6

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

2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide (PubChem CID 19202492) has the molecular formula C16H14BrClN2O4 and a molecular weight of 413.66 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
PubChem CID19202492
Molecular FormulaC16H14BrClN2O4
Molecular Weight413.66 g/mol
Exact Mass411.98
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrClN2O4/c1-2-10-7-11(17)3-6-15(10)24-9-16(21)19-12-4-5-13(18)14(8-12)20(22)23/h3-8H,2,9H2,1H3,(H,19,21)
InChIKeyJKTWFFRWTBJIOP-UHFFFAOYSA-N
XLogP4.59
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 19202439
N-(4-chloro-3-nitrophenyl)-2-(2,4-dipentylphenoxy)acetamide
CID 3511506
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257
2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 19201533
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 24534004
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
CID 103606725
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide (CID 19202492) is 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide is CCc1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The InChIKey is JKTWFFRWTBJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O4/c1-2-10-7-11(17)3-6-15(10)24-9-16(21)19-12-4-5-13(18)14(8-12)20(22)23/h3-8H,2,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide has a molecular weight of 413.66 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 19202492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).