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

C23H21Cl2N3O2 — CID 54816093

IUPACN-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C23H21Cl2N3O2/c1-28(15-16-7-3-2-4-8-16)23(30)17-9-5-10-18(13-17)27-21(29)14-26-20-12-6-11-19(24)22(20)25/h2-13,26H,14-15H2,1H3,(H,27,29)
InChIKeyHZNDEPJJLMLTPY-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.32
Rot. Bonds7

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

N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54816093) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54816093
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC NameN-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C23H21Cl2N3O2/c1-28(15-16-7-3-2-4-8-16)23(30)17-9-5-10-18(13-17)27-21(29)14-26-20-12-6-11-19(24)22(20)25/h2-13,26H,14-15H2,1H3,(H,27,29)
InChIKeyHZNDEPJJLMLTPY-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

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Related Compounds

N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
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
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide (CID 54816093) is N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is HZNDEPJJLMLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c1-28(15-16-7-3-2-4-8-16)23(30)17-9-5-10-18(13-17)27-21(29)14-26-20-12-6-11-19(24)22(20)25/h2-13,26H,14-15H2,1H3,(H,27,29).
What are the key properties of N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-(2,3-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-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54816093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).