5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide

C21H24BrClN2O3 — CID 55754958

IUPAC5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C21H24BrClN2O3/c1-25(14-20(26)24-18-13-17(23)11-12-19(18)28-2)21(27)6-4-3-5-15-7-9-16(22)10-8-15/h7-13H,3-6,14H2,1-2H3,(H,24,26)
InChIKeyOUVPHSZOYJORMC-UHFFFAOYSA-N
MW467.79 g/mol
LogP4.92
Rot. Bonds9

About 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide

5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide (PubChem CID 55754958) has the molecular formula C21H24BrClN2O3 and a molecular weight of 467.79 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
PubChem CID55754958
Molecular FormulaC21H24BrClN2O3
Molecular Weight467.79 g/mol
Exact Mass466.07
IUPAC Name5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C21H24BrClN2O3/c1-25(14-20(26)24-18-13-17(23)11-12-19(18)28-2)21(27)6-4-3-5-15-7-9-16(22)10-8-15/h7-13H,3-6,14H2,1-2H3,(H,24,26)
InChIKeyOUVPHSZOYJORMC-UHFFFAOYSA-N
XLogP4.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036
N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide
CID 55364467
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165494
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 9014966
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028
4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55329890
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide (CID 55754958) is 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide?
The InChIKey is OUVPHSZOYJORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN2O3/c1-25(14-20(26)24-18-13-17(23)11-12-19(18)28-2)21(27)6-4-3-5-15-7-9-16(22)10-8-15/h7-13H,3-6,14H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide?
5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide has a molecular weight of 467.79 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 55754958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).