2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide

C20H24BrN3O2 — CID 8533654

IUPAC2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1
InChIInChI=1S/C20H24BrN3O2/c1-3-24(13-16-7-5-4-6-8-16)14-20(26)22-12-19(25)23-18-10-9-17(21)11-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySCZOVAMVJMISPP-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.33
Rot. Bonds8

About 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide

2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 8533654) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID8533654
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1
InChIInChI=1S/C20H24BrN3O2/c1-3-24(13-16-7-5-4-6-8-16)14-20(26)22-12-19(25)23-18-10-9-17(21)11-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySCZOVAMVJMISPP-UHFFFAOYSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide 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

7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
CID 76167
Nbd-557
CID 5279270
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 627432
7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 625577
N-(4-bromo-2-ethylphenyl)acetamide
CID 2735223
4'-Bromo-2'-phenylacetanilide
CID 242400
7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 2769705
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide (CID 8533654) is 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide is CCN(CC(=O)NCC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is SCZOVAMVJMISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-3-24(13-16-7-5-4-6-8-16)14-20(26)22-12-19(25)23-18-10-9-17(21)11-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 418.34 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 8533654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).