N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide

C17H15Cl3N2O2 — CID 113063620

IUPACN-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-11(23)22(16-7-6-12(18)10-15(16)20)9-8-21-17(24)13-4-2-3-5-14(13)19/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyFLYJAYSNYYLKJL-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide

N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide (PubChem CID 113063620) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
PubChem CID113063620
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC NameN-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-11(23)22(16-7-6-12(18)10-15(16)20)9-8-21-17(24)13-4-2-3-5-14(13)19/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyFLYJAYSNYYLKJL-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide 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

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113063627
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide (CID 113063620) is N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide?
The InChIKey is FLYJAYSNYYLKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-11(23)22(16-7-6-12(18)10-15(16)20)9-8-21-17(24)13-4-2-3-5-14(13)19/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide?
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide has a molecular weight of 385.68 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 113063620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).