5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide

C22H27BrN2O2 — CID 55757962

IUPAC5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CCCCc2ccc(Br)cc2)c1C
InChIInChI=1S/C22H27BrN2O2/c1-16-7-6-9-20(17(16)2)24-21(26)15-25(3)22(27)10-5-4-8-18-11-13-19(23)14-12-18/h6-7,9,11-14H,4-5,8,10,15H2,1-3H3,(H,24,26)
InChIKeyAWPSITFYTKCSNY-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.88
Rot. Bonds8

About 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide

5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide (PubChem CID 55757962) has the molecular formula C22H27BrN2O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
PubChem CID55757962
Molecular FormulaC22H27BrN2O2
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CCCCc2ccc(Br)cc2)c1C
InChIInChI=1S/C22H27BrN2O2/c1-16-7-6-9-20(17(16)2)24-21(26)15-25(3)22(27)10-5-4-8-18-11-13-19(23)14-12-18/h6-7,9,11-14H,4-5,8,10,15H2,1-3H3,(H,24,26)
InChIKeyAWPSITFYTKCSNY-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]benzoic acid
CID 119181081
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 51276851
5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
CID 55754958
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55996807
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 126030274

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide (CID 55757962) is 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide is Cc1cccc(NC(=O)CN(C)C(=O)CCCCc2ccc(Br)cc2)c1C.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide?
The InChIKey is AWPSITFYTKCSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O2/c1-16-7-6-9-20(17(16)2)24-21(26)15-25(3)22(27)10-5-4-8-18-11-13-19(23)14-12-18/h6-7,9,11-14H,4-5,8,10,15H2,1-3H3,(H,24,26).
What are the key properties of 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide?
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide has a molecular weight of 431.37 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 55757962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).