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

C17H18ClN3O2 — CID 37229214

IUPAC2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-21(17(23)11-19-13-7-3-2-4-8-13)12-16(22)20-15-10-6-5-9-14(15)18/h2-10,19H,11-12H2,1H3,(H,20,22)
InChIKeyYMISRONBTAKUSH-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.85
Rot. Bonds6

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

2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 37229214) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID37229214
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-21(17(23)11-19-13-7-3-2-4-8-13)12-16(22)20-15-10-6-5-9-14(15)18/h2-10,19H,11-12H2,1H3,(H,20,22)
InChIKeyYMISRONBTAKUSH-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
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-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
(E)-N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9409762
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-methylacetamide
CID 26508658
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide (CID 37229214) is 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is YMISRONBTAKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-21(17(23)11-19-13-7-3-2-4-8-13)12-16(22)20-15-10-6-5-9-14(15)18/h2-10,19H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide?
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 331.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 37229214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).