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

C14H9BrClFN2O4 — CID 5013304

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9BrClFN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-11-3-2-9(17)6-12(11)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeyCXSTWMCUHIUEDI-UHFFFAOYSA-N
MW403.59 g/mol
LogP4.17
Rot. Bonds5

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

2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide (PubChem CID 5013304) has the molecular formula C14H9BrClFN2O4 and a molecular weight of 403.59 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
PubChem CID5013304
Molecular FormulaC14H9BrClFN2O4
Molecular Weight403.59 g/mol
Exact Mass401.94
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9BrClFN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-11-3-2-9(17)6-12(11)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeyCXSTWMCUHIUEDI-UHFFFAOYSA-N
XLogP4.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 54.17
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-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
CID 4841472
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19202524
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-(2,4-difluorophenyl)thiourea
CID 2208797
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide
CID 4633302

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide (CID 5013304) is 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide is O=C(COc1ccc(Br)cc1Cl)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide?
The InChIKey is CXSTWMCUHIUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-11-3-2-9(17)6-12(11)19(21)22/h1-6H,7H2,(H,18,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide has a molecular weight of 403.59 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 5013304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).