4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide

C21H24BrN3O3 — CID 112771725

IUPAC4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H24BrN3O3/c1-3-12-25(14-19(26)24-18-7-5-4-6-15(18)2)20(27)13-23-21(28)16-8-10-17(22)11-9-16/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyKXTCZWBYEOPCPE-UHFFFAOYSA-N
MW446.35 g/mol
LogP3.36
Rot. Bonds8

About 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide

4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide (PubChem CID 112771725) has the molecular formula C21H24BrN3O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
PubChem CID112771725
Molecular FormulaC21H24BrN3O3
Molecular Weight446.35 g/mol
Exact Mass445.10
IUPAC Name4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H24BrN3O3/c1-3-12-25(14-19(26)24-18-7-5-4-6-15(18)2)20(27)13-23-21(28)16-8-10-17(22)11-9-16/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyKXTCZWBYEOPCPE-UHFFFAOYSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide 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

N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
CID 31974383
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796070
N-[2-(2-methylanilino)-2-oxoethyl]-2-[1-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112801015
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride
CID 119682380
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide (CID 112771725) is 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide?
The InChIKey is KXTCZWBYEOPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3/c1-3-12-25(14-19(26)24-18-7-5-4-6-15(18)2)20(27)13-23-21(28)16-8-10-17(22)11-9-16/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide has a molecular weight of 446.35 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112771725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).