N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid

C18H18BrNO6 — CID 171154737

IUPACN-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
SMILESCc1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H16BrNO2.C2H2O4/c1-11-4-3-5-14(8-11)20-10-16(19)18-15-7-6-13(17)9-12(15)2;3-1(4)2(5)6/h3-9H,10H2,1-2H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyFHDIVYXDVBCQCJ-UHFFFAOYSA-N
MW424.25 g/mol
LogP3.24
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid

N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid (PubChem CID 171154737) has the molecular formula C18H18BrNO6 and a molecular weight of 424.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
PubChem CID171154737
Molecular FormulaC18H18BrNO6
Molecular Weight424.25 g/mol
Exact Mass423.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
SMILESCc1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H16BrNO2.C2H2O4/c1-11-4-3-5-14(8-11)20-10-16(19)18-15-7-6-13(17)9-12(15)2;3-1(4)2(5)6/h3-9H,10H2,1-2H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyFHDIVYXDVBCQCJ-UHFFFAOYSA-N
XLogP3.24
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 17432048
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid (CID 171154737) is N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid is Cc1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1.O=C(O)C(=O)O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid?
The InChIKey is FHDIVYXDVBCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2.C2H2O4/c1-11-4-3-5-14(8-11)20-10-16(19)18-15-7-6-13(17)9-12(15)2;3-1(4)2(5)6/h3-9H,10H2,1-2H3,(H,18,19);(H,3,4)(H,5,6).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid?
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid has a molecular weight of 424.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid is sourced from PubChem (CID 171154737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).