2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid

C24H22ClF3N2O3 — CID 68965123

IUPAC2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(NCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21ClN2O.C2HF3O2/c1-17(18-12-14-19(23)15-13-18)24-16-22(26)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;3-2(4,5)1(6)7/h2-15,17,24H,16H2,1H3;(H,6,7)
InChIKeyVPSIPZKNRJGSEQ-UHFFFAOYSA-N
MW478.90 g/mol
LogP5.99
Rot. Bonds6

About 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid

2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 68965123) has the molecular formula C24H22ClF3N2O3 and a molecular weight of 478.90 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid
PubChem CID68965123
Molecular FormulaC24H22ClF3N2O3
Molecular Weight478.90 g/mol
Exact Mass478.13
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(NCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21ClN2O.C2HF3O2/c1-17(18-12-14-19(23)15-13-18)24-16-22(26)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;3-2(4,5)1(6)7/h2-15,17,24H,16H2,1H3;(H,6,7)
InChIKeyVPSIPZKNRJGSEQ-UHFFFAOYSA-N
XLogP5.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.90
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid 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-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid (CID 68965123) is 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid is CC(NCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is VPSIPZKNRJGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O.C2HF3O2/c1-17(18-12-14-19(23)15-13-18)24-16-22(26)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;3-2(4,5)1(6)7/h2-15,17,24H,16H2,1H3;(H,6,7).
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid?
2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 478.90 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68965123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).