N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide

C15H12BrFN2O4 — CID 55733652

IUPACN-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c(Br)c1
InChIInChI=1S/C15H12BrFN2O4/c1-9-2-4-13(11(16)6-9)18-15(20)8-23-14-5-3-10(19(21)22)7-12(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyDVXNWSUZNBGNBA-UHFFFAOYSA-N
MW383.17 g/mol
LogP3.82
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide

N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide (PubChem CID 55733652) has the molecular formula C15H12BrFN2O4 and a molecular weight of 383.17 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
PubChem CID55733652
Molecular FormulaC15H12BrFN2O4
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c(Br)c1
InChIInChI=1S/C15H12BrFN2O4/c1-9-2-4-13(11(16)6-9)18-15(20)8-23-14-5-3-10(19(21)22)7-12(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyDVXNWSUZNBGNBA-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-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23790997
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202464
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-(2-bromo-4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791139
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide (CID 55733652) is N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide?
The InChIKey is DVXNWSUZNBGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O4/c1-9-2-4-13(11(16)6-9)18-15(20)8-23-14-5-3-10(19(21)22)7-12(14)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide?
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)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 N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide is sourced from PubChem (CID 55733652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).