2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

C15H12BrFN2O4 — CID 34651329

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrFN2O4/c1-9-2-4-12(13(6-9)19(21)22)18-15(20)8-23-14-5-3-10(17)7-11(14)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyGOJFMKIGXUSRBZ-UHFFFAOYSA-N
MW383.17 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 34651329) has the molecular formula C15H12BrFN2O4 and a molecular weight of 383.17 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID34651329
Molecular FormulaC15H12BrFN2O4
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrFN2O4/c1-9-2-4-12(13(6-9)19(21)22)18-15(20)8-23-14-5-3-10(17)7-11(14)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyGOJFMKIGXUSRBZ-UHFFFAOYSA-N
XLogP3.82
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 53.82
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-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 5013304
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19202524
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 7949272
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 7466857
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (CID 34651329) is 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(F)cc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is GOJFMKIGXUSRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O4/c1-9-2-4-12(13(6-9)19(21)22)18-15(20)8-23-14-5-3-10(17)7-11(14)16/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 383.17 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 34651329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).