2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

C16H15BrN2O4 — CID 7466857

IUPAC2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2Br)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H15BrN2O4/c1-10-7-13(14(19(21)22)8-11(10)2)18-16(20)9-23-15-6-4-3-5-12(15)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyBUDYPWHZAGJBIK-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide (PubChem CID 7466857) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
PubChem CID7466857
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC Name2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2Br)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H15BrN2O4/c1-10-7-13(14(19(21)22)8-11(10)2)18-16(20)9-23-15-6-4-3-5-12(15)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyBUDYPWHZAGJBIK-UHFFFAOYSA-N
XLogP3.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.99
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-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842445
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 7949272
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
2-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethoxy]acetic acid
CID 60708232
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide (CID 7466857) is 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide is Cc1cc(NC(=O)COc2ccccc2Br)c([N+](=O)[O-])cc1C.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The InChIKey is BUDYPWHZAGJBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-10-7-13(14(19(21)22)8-11(10)2)18-16(20)9-23-15-6-4-3-5-12(15)17/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide has a molecular weight of 379.21 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 7466857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).