2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide

C17H17Cl2N3O2 — CID 37471792

IUPAC2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-22(11-16(23)21-15-9-5-3-7-13(15)19)17(24)10-20-14-8-4-2-6-12(14)18/h2-9,20H,10-11H2,1H3,(H,21,23)
InChIKeyRVAFXKJYVFLZAK-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.50
Rot. Bonds6

About 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 37471792) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID37471792
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-22(11-16(23)21-15-9-5-3-7-13(15)19)17(24)10-20-14-8-4-2-6-12(14)18/h2-9,20H,10-11H2,1H3,(H,21,23)
InChIKeyRVAFXKJYVFLZAK-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
CID 26505954
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide
CID 26539561
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-methylacetamide
CID 26508658
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
CID 60587790
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
(E)-N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9409762
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide (CID 37471792) is 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is RVAFXKJYVFLZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-22(11-16(23)21-15-9-5-3-7-13(15)19)17(24)10-20-14-8-4-2-6-12(14)18/h2-9,20H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 366.25 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 37471792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).