3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide

C20H23ClN2O2 — CID 113127046

IUPAC3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-3-22(15-17-9-5-4-6-10-17)20(25)13-14-23(16(2)24)19-12-8-7-11-18(19)21/h4-12H,3,13-15H2,1-2H3
InChIKeyRJPLVERDKIFHRI-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.13
Rot. Bonds7

About 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide

3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide (PubChem CID 113127046) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
PubChem CID113127046
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-3-22(15-17-9-5-4-6-10-17)20(25)13-14-23(16(2)24)19-12-8-7-11-18(19)21/h4-12H,3,13-15H2,1-2H3
InChIKeyRJPLVERDKIFHRI-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide 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

3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
CID 113130656
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
CID 113134317
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 113127594
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide (CID 113127046) is 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccccc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide?
The InChIKey is RJPLVERDKIFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-22(15-17-9-5-4-6-10-17)20(25)13-14-23(16(2)24)19-12-8-7-11-18(19)21/h4-12H,3,13-15H2,1-2H3.
What are the key properties of 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide?
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 113127046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).