N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H23Cl2N3O3 — CID 25315310

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23Cl2N3O3/c1-2-26(14-19(28)25-22-17(23)5-3-6-18(22)24)21(30)13-15-8-10-16(11-9-15)27-12-4-7-20(27)29/h3,5-6,8-11H,2,4,7,12-14H2,1H3,(H,25,28)
InChIKeyHVIJNYBXSHCPTJ-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 25315310) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID25315310
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23Cl2N3O3/c1-2-26(14-19(28)25-22-17(23)5-3-6-18(22)24)21(30)13-15-8-10-16(11-9-15)27-12-4-7-20(27)29/h3,5-6,8-11H,2,4,7,12-14H2,1H3,(H,25,28)
InChIKeyHVIJNYBXSHCPTJ-UHFFFAOYSA-N
XLogP4.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51230339
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 78821691
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25496038
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 27783138
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51508427
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821274

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 25315310) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is HVIJNYBXSHCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-2-26(14-19(28)25-22-17(23)5-3-6-18(22)24)21(30)13-15-8-10-16(11-9-15)27-12-4-7-20(27)29/h3,5-6,8-11H,2,4,7,12-14H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 448.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 25315310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).