N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide

C23H21Cl2N3O2 — CID 54813258

IUPACN-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C23H21Cl2N3O2/c1-28(15-16-6-3-2-4-7-16)23(30)17-8-5-9-20(10-17)27-22(29)14-26-21-12-18(24)11-19(25)13-21/h2-13,26H,14-15H2,1H3,(H,27,29)
InChIKeyNYKJSOSAYLETNJ-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.32
Rot. Bonds7

About N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide

N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54813258) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54813258
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC NameN-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C23H21Cl2N3O2/c1-28(15-16-6-3-2-4-7-16)23(30)17-8-5-9-20(10-17)27-22(29)14-26-21-12-18(24)11-19(25)13-21/h2-13,26H,14-15H2,1H3,(H,27,29)
InChIKeyNYKJSOSAYLETNJ-UHFFFAOYSA-N
XLogP5.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide 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

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-benzyl-3-[[2-[3-(hexanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54841033
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide (CID 54813258) is N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is NYKJSOSAYLETNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c1-28(15-16-6-3-2-4-7-16)23(30)17-8-5-9-20(10-17)27-22(29)14-26-21-12-18(24)11-19(25)13-21/h2-13,26H,14-15H2,1H3,(H,27,29).
What are the key properties of N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 442.35 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54813258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).