2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

C20H23ClN4O4 — CID 8844622

IUPAC2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H23ClN4O4/c1-13(26)22-14-8-9-18(29-3)17(10-14)24-20(28)12-25(2)11-19(27)23-16-7-5-4-6-15(16)21/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyFXISPCNNDZVIID-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.82
Rot. Bonds8

About 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 8844622) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID8844622
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Name2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H23ClN4O4/c1-13(26)22-14-8-9-18(29-3)17(10-14)24-20(28)12-25(2)11-19(27)23-16-7-5-4-6-15(16)21/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyFXISPCNNDZVIID-UHFFFAOYSA-N
XLogP2.82
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 8844622) is 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is FXISPCNNDZVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c1-13(26)22-14-8-9-18(29-3)17(10-14)24-20(28)12-25(2)11-19(27)23-16-7-5-4-6-15(16)21/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 418.88 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 8844622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).