N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide

C16H15BrN2O4 — CID 19173082

IUPACN-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1
InChIInChI=1S/C16H15BrN2O4/c1-10-5-11(2)7-13(6-10)23-9-16(20)18-15-4-3-12(19(21)22)8-14(15)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyASJRTXXVPHREGS-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.99
Rot. Bonds5

About N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide

N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 19173082) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID19173082
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1
InChIInChI=1S/C16H15BrN2O4/c1-10-5-11(2)7-13(6-10)23-9-16(20)18-15-4-3-12(19(21)22)8-14(15)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyASJRTXXVPHREGS-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-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
N-(2-bromo-4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791139
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202464
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-(2-bromo-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655824

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide (CID 19173082) is N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is ASJRTXXVPHREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-10-5-11(2)7-13(6-10)23-9-16(20)18-15-4-3-12(19(21)22)8-14(15)17/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)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 N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 19173082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).