2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide

C15H13BrN2O4 — CID 23966900

IUPAC2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O4/c1-10-5-6-12(8-14(10)18(20)21)17-15(19)9-22-13-4-2-3-11(16)7-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyUFLUJCJCOCHUJK-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide

2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 23966900) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID23966900
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O4/c1-10-5-6-12(8-14(10)18(20)21)17-15(19)9-22-13-4-2-3-11(16)7-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyUFLUJCJCOCHUJK-UHFFFAOYSA-N
XLogP3.68
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.68
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

3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 2173161
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694690
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 23767883
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide (CID 23966900) is 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is UFLUJCJCOCHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-10-5-6-12(8-14(10)18(20)21)17-15(19)9-22-13-4-2-3-11(16)7-13/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide?
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 365.18 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 23966900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).