2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide

C15H10BrFN2O5 — CID 7820278

IUPAC2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H10BrFN2O5/c16-10-1-4-14(9(5-10)7-20)24-8-15(21)18-13-6-11(19(22)23)2-3-12(13)17/h1-7H,8H2,(H,18,21)
InChIKeyNUHIBBWHRLCODH-UHFFFAOYSA-N
MW397.16 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 7820278) has the molecular formula C15H10BrFN2O5 and a molecular weight of 397.16 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID7820278
Molecular FormulaC15H10BrFN2O5
Molecular Weight397.16 g/mol
Exact Mass395.98
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H10BrFN2O5/c16-10-1-4-14(9(5-10)7-20)24-8-15(21)18-13-6-11(19(22)23)2-3-12(13)17/h1-7H,8H2,(H,18,21)
InChIKeyNUHIBBWHRLCODH-UHFFFAOYSA-N
XLogP3.33
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 1338216
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110
2-(3-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7818423
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2601605
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 7820278) is 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide is O=Cc1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is NUHIBBWHRLCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O5/c16-10-1-4-14(9(5-10)7-20)24-8-15(21)18-13-6-11(19(22)23)2-3-12(13)17/h1-7H,8H2,(H,18,21).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 397.16 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 7820278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).