N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide

C21H22Cl2FNO2 — CID 15240669

IUPACN-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide
SMILESCC(=O)C(C)N(C(=O)Cc1ccccc1F)C(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H22Cl2FNO2/c1-13(14(2)26)25(20(27)9-15-7-5-6-8-19(15)24)21(3,4)16-10-17(22)12-18(23)11-16/h5-8,10-13H,9H2,1-4H3
InChIKeyYJFYEHTZIJDHCN-UHFFFAOYSA-N
MW410.32 g/mol
LogP5.42
Rot. Bonds6

About N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide

N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide (PubChem CID 15240669) has the molecular formula C21H22Cl2FNO2 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide
PubChem CID15240669
Molecular FormulaC21H22Cl2FNO2
Molecular Weight410.32 g/mol
Exact Mass409.10
IUPAC NameN-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide
SMILESCC(=O)C(C)N(C(=O)Cc1ccccc1F)C(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H22Cl2FNO2/c1-13(14(2)26)25(20(27)9-15-7-5-6-8-19(15)24)21(3,4)16-10-17(22)12-18(23)11-16/h5-8,10-13H,9H2,1-4H3
InChIKeyYJFYEHTZIJDHCN-UHFFFAOYSA-N
XLogP5.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.32
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)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

Oxaziclomefone
CID 15604135
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
CID 15754263
(3S,5R,6S)-3-Allyl-5-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-1-isopropyl-3-methylpiperidin-2-one
CID 58573371
2-(3-chlorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134795343
N-(3,5-Dichloro-benzyl)-N-methyl-3,3-diphenyl-propionamide
CID 44287556
N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
CID 10320863
1-[1-(3,5-dichlorophenyl)ethyl]-4-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-2H-pyrrol-5-one
CID 11319678
2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide
CID 3776214
2-(3-Chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747004
2-(3-Chlorophenyl)-1-[2-(2-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747048
2-(3-Chlorophenyl)-2-[[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 71977404
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 134794504

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide (CID 15240669) is N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide is CC(=O)C(C)N(C(=O)Cc1ccccc1F)C(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide?
The InChIKey is YJFYEHTZIJDHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2FNO2/c1-13(14(2)26)25(20(27)9-15-7-5-6-8-19(15)24)21(3,4)16-10-17(22)12-18(23)11-16/h5-8,10-13H,9H2,1-4H3.
What are the key properties of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide?
N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide has a molecular weight of 410.32 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 15240669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).