2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide

C15H12BrClN2O4 — CID 1185944

IUPAC2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C15H12BrClN2O4/c1-9-2-5-14(11(16)6-9)23-8-15(20)18-10-3-4-12(17)13(7-10)19(21)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyXWFZDAWVJCLUQZ-UHFFFAOYSA-N
MW399.63 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide (PubChem CID 1185944) has the molecular formula C15H12BrClN2O4 and a molecular weight of 399.63 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
PubChem CID1185944
Molecular FormulaC15H12BrClN2O4
Molecular Weight399.63 g/mol
Exact Mass397.97
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C15H12BrClN2O4/c1-9-2-5-14(11(16)6-9)23-8-15(20)18-10-3-4-12(17)13(7-10)19(21)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyXWFZDAWVJCLUQZ-UHFFFAOYSA-N
XLogP4.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 54.34
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-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
4-(2-bromo-4-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19202501
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 24534004
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 7949272
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234836
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-chloro-3-nitrophenyl)-2-(2,4-dipentylphenoxy)acetamide
CID 3511506

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide (CID 1185944) is 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The InChIKey is XWFZDAWVJCLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O4/c1-9-2-5-14(11(16)6-9)23-8-15(20)18-10-3-4-12(17)13(7-10)19(21)22/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide has a molecular weight of 399.63 g/mol, XLogP of 4.34, 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-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 1185944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).