N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide

C20H23ClN2O5 — CID 9090069

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-23(12-17(24)22-15-8-6-5-7-14(15)21)18(25)11-13-9-10-16(26-2)20(28-4)19(13)27-3/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyZWBVCCJOZCOJFM-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9090069) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9090069
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-23(12-17(24)22-15-8-6-5-7-14(15)21)18(25)11-13-9-10-16(26-2)20(28-4)19(13)27-3/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyZWBVCCJOZCOJFM-UHFFFAOYSA-N
XLogP3.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665829
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9409894
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055689
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 38632222

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9090069) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1OC.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is ZWBVCCJOZCOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-23(12-17(24)22-15-8-6-5-7-14(15)21)18(25)11-13-9-10-16(26-2)20(28-4)19(13)27-3/h5-10H,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9090069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).