N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide

C20H23ClN2O3 — CID 113059999

IUPACN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-4-7-17(13-19(14)21)23(15(2)24)11-10-22-20(25)12-16-5-8-18(26-3)9-6-16/h4-9,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyDFBZESWKPIEDPI-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113059999) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113059999
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-4-7-17(13-19(14)21)23(15(2)24)11-10-22-20(25)12-16-5-8-18(26-3)9-6-16/h4-9,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyDFBZESWKPIEDPI-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113172208
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide (CID 113059999) is N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DFBZESWKPIEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-4-7-17(13-19(14)21)23(15(2)24)11-10-22-20(25)12-16-5-8-18(26-3)9-6-16/h4-9,13H,10-12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).