3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

C22H19Cl2N3O2 — CID 54813421

IUPAC3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C22H19Cl2N3O2/c1-27(20-8-3-2-4-9-20)22(29)15-6-5-7-18(10-15)26-21(28)14-25-19-12-16(23)11-17(24)13-19/h2-13,25H,14H2,1H3,(H,26,28)
InChIKeyIFTIYPQJJCVOLJ-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.32
Rot. Bonds6

About 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54813421) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54813421
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC Name3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C22H19Cl2N3O2/c1-27(20-8-3-2-4-9-20)22(29)15-6-5-7-18(10-15)26-21(28)14-25-19-12-16(23)11-17(24)13-19/h2-13,25H,14H2,1H3,(H,26,28)
InChIKeyIFTIYPQJJCVOLJ-UHFFFAOYSA-N
XLogP5.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466
N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837359

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 54813421) is 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is IFTIYPQJJCVOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c1-27(20-8-3-2-4-9-20)22(29)15-6-5-7-18(10-15)26-21(28)14-25-19-12-16(23)11-17(24)13-19/h2-13,25H,14H2,1H3,(H,26,28).
What are the key properties of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 428.32 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54813421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).