N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide

C20H23ClN2O4 — CID 113059990

IUPACN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-8-9-15(12-16(13)21)23(14(2)24)11-10-22-20(25)19-17(26-3)6-5-7-18(19)27-4/h5-9,12H,10-11H2,1-4H3,(H,22,25)
InChIKeyYWFJGDMHPSYBRG-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide

N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide (PubChem CID 113059990) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
PubChem CID113059990
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4/c1-13-8-9-15(12-16(13)21)23(14(2)24)11-10-22-20(25)19-17(26-3)6-5-7-18(19)27-4/h5-9,12H,10-11H2,1-4H3,(H,22,25)
InChIKeyYWFJGDMHPSYBRG-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
tert-butyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060024
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide (CID 113059990) is N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is YWFJGDMHPSYBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-8-9-15(12-16(13)21)23(14(2)24)11-10-22-20(25)19-17(26-3)6-5-7-18(19)27-4/h5-9,12H,10-11H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide?
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113059990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).