N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide

C21H23Cl2N3O3 — CID 52667899

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C21H23Cl2N3O3/c1-3-10-26(13-20(28)25-18-9-8-15(22)12-17(18)23)21(29)14-6-5-7-16(11-14)24-19(27)4-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNWAUXFOVEKPRJN-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.83
Rot. Bonds8

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide (PubChem CID 52667899) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
PubChem CID52667899
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C21H23Cl2N3O3/c1-3-10-26(13-20(28)25-18-9-8-15(22)12-17(18)23)21(29)14-6-5-7-16(11-14)24-19(27)4-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNWAUXFOVEKPRJN-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide 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-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
CID 55787027
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide (CID 52667899) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide?
The InChIKey is NWAUXFOVEKPRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-3-10-26(13-20(28)25-18-9-8-15(22)12-17(18)23)21(29)14-6-5-7-16(11-14)24-19(27)4-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide has a molecular weight of 436.34 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide is sourced from PubChem (CID 52667899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).