N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide

C23H20ClF3N2O — CID 68967185

IUPACN-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C23H20ClF3N2O/c24-20-12-8-17(9-13-20)15-29-22(30)21(18-4-2-1-3-5-18)28-14-16-6-10-19(11-7-16)23(25,26)27/h1-13,21,28H,14-15H2,(H,29,30)
InChIKeyJOAFXICILVMIGS-UHFFFAOYSA-N
MW432.87 g/mol
LogP5.51
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide (PubChem CID 68967185) has the molecular formula C23H20ClF3N2O and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
PubChem CID68967185
Molecular FormulaC23H20ClF3N2O
Molecular Weight432.87 g/mol
Exact Mass432.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C23H20ClF3N2O/c24-20-12-8-17(9-13-20)15-29-22(30)21(18-4-2-1-3-5-18)28-14-16-6-10-19(11-7-16)23(25,26)27/h1-13,21,28H,14-15H2,(H,29,30)
InChIKeyJOAFXICILVMIGS-UHFFFAOYSA-N
XLogP5.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 56932488
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide (CID 68967185) is N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide is O=C(NCc1ccc(Cl)cc1)C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
The InChIKey is JOAFXICILVMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O/c24-20-12-8-17(9-13-20)15-29-22(30)21(18-4-2-1-3-5-18)28-14-16-6-10-19(11-7-16)23(25,26)27/h1-13,21,28H,14-15H2,(H,29,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide has a molecular weight of 432.87 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 68967185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).