2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide

C18H18Cl2FN3O2 — CID 9196861

IUPAC2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(10-12-2-3-13(19)8-16(12)20)11-18(26)22-9-17(25)23-15-6-4-14(21)5-7-15/h2-8H,9-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyJRJLOCGFXXIPMV-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.32
Rot. Bonds7

About 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 9196861) has the molecular formula C18H18Cl2FN3O2 and a molecular weight of 398.27 g/mol. Its IUPAC name is 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID9196861
Molecular FormulaC18H18Cl2FN3O2
Molecular Weight398.27 g/mol
Exact Mass397.08
IUPAC Name2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(10-12-2-3-13(19)8-16(12)20)11-18(26)22-9-17(25)23-15-6-4-14(21)5-7-15/h2-8H,9-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyJRJLOCGFXXIPMV-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)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-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9196994
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
N-(3,4-difluorophenyl)-2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8695732
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253501
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 9196861) is 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JRJLOCGFXXIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O2/c1-24(10-12-2-3-13(19)8-16(12)20)11-18(26)22-9-17(25)23-15-6-4-14(21)5-7-15/h2-8H,9-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.27 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9196861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).