2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide

C18H20ClFN2O — CID 18589007

IUPAC2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O/c1-22(2)17(14-5-9-16(20)10-6-14)12-21-18(23)11-13-3-7-15(19)8-4-13/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKeyDDPKSRFTTNUJFJ-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 18589007) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
PubChem CID18589007
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O/c1-22(2)17(14-5-9-16(20)10-6-14)12-21-18(23)11-13-3-7-15(19)8-4-13/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKeyDDPKSRFTTNUJFJ-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide (CID 18589007) is 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide is CN(C)C(CNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is DDPKSRFTTNUJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-22(2)17(14-5-9-16(20)10-6-14)12-21-18(23)11-13-3-7-15(19)8-4-13/h3-10,17H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 334.82 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18589007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).