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

C16H15BrN2O4 — CID 19202439

IUPAC2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O4/c1-2-11-8-12(17)6-7-15(11)23-10-16(20)18-13-4-3-5-14(9-13)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyAZJHVACZGNIFQR-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.94
Rot. Bonds6

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

2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide (PubChem CID 19202439) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
PubChem CID19202439
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O4/c1-2-11-8-12(17)6-7-15(11)23-10-16(20)18-13-4-3-5-14(9-13)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyAZJHVACZGNIFQR-UHFFFAOYSA-N
XLogP3.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.94
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-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492
2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 19201533
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 9104098
N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
CID 71696136
2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
CID 24533995
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
[2-(3-nitroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387832
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide (CID 19202439) is 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide is CCc1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide?
The InChIKey is AZJHVACZGNIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-2-11-8-12(17)6-7-15(11)23-10-16(20)18-13-4-3-5-14(9-13)19(21)22/h3-9H,2,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide?
2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide has a molecular weight of 379.21 g/mol, XLogP of 3.94, 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-(3-nitrophenyl)acetamide is sourced from PubChem (CID 19202439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).