2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide

C16H12Cl3FN2O2 — CID 38660284

IUPAC2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3FN2O2/c1-22(8-15(23)21-14-5-3-2-4-10(14)17)16(24)9-6-13(20)12(19)7-11(9)18/h2-7H,8H2,1H3,(H,21,23)
InChIKeyXZIOYDLEAYZBED-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.50
Rot. Bonds4

About 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide

2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide (PubChem CID 38660284) has the molecular formula C16H12Cl3FN2O2 and a molecular weight of 389.64 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
PubChem CID38660284
Molecular FormulaC16H12Cl3FN2O2
Molecular Weight389.64 g/mol
Exact Mass387.99
IUPAC Name2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3FN2O2/c1-22(8-15(23)21-14-5-3-2-4-10(14)17)16(24)9-6-13(20)12(19)7-11(9)18/h2-7H,8H2,1H3,(H,21,23)
InChIKeyXZIOYDLEAYZBED-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.64
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide 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-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18279065
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 46472425
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 38632222

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide (CID 38660284) is 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
The InChIKey is XZIOYDLEAYZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3FN2O2/c1-22(8-15(23)21-14-5-3-2-4-10(14)17)16(24)9-6-13(20)12(19)7-11(9)18/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide?
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide has a molecular weight of 389.64 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 38660284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).