2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide

C17H15BrClNO3 — CID 30847759

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-10(21)11-3-6-16(23-2)12(7-11)8-17(22)20-15-5-4-13(18)9-14(15)19/h3-7,9H,8H2,1-2H3,(H,20,22)
InChIKeyFTKPAZUHFMKELS-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.49
Rot. Bonds5

About 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 30847759) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide
PubChem CID30847759
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-10(21)11-3-6-16(23-2)12(7-11)8-17(22)20-15-5-4-13(18)9-14(15)19/h3-7,9H,8H2,1-2H3,(H,20,22)
InChIKeyFTKPAZUHFMKELS-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dichlorophenyl)acetamide
CID 30845420
2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
CID 30867221
2-(5-acetyl-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)acetamide
CID 30843617
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 43024655
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534424
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
N-(4-bromo-2-chlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741026

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide (CID 30847759) is 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide is COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is FTKPAZUHFMKELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-10(21)11-3-6-16(23-2)12(7-11)8-17(22)20-15-5-4-13(18)9-14(15)19/h3-7,9H,8H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 396.67 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 30847759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).