N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

C23H26ClF4N3O2 — CID 143615162

IUPACN-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N(C)Cc1ccc(Cl)cc1.O=C(NCc1ccc(C(F)(F)F)cc1F)N1CCCC1
InChIInChI=1S/C13H14F4N2O.C10H12ClNO/c14-11-7-10(13(15,16)17)4-3-9(11)8-18-12(20)19-5-1-2-6-19;1-8(13)12(2)7-9-3-5-10(11)6-4-9/h3-4,7H,1-2,5-6,8H2,(H,18,20);3-6H,7H2,1-2H3
InChIKeyQCIOLGKLUMCFMS-UHFFFAOYSA-N
MW487.93 g/mol
LogP5.47
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 143615162) has the molecular formula C23H26ClF4N3O2 and a molecular weight of 487.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID143615162
Molecular FormulaC23H26ClF4N3O2
Molecular Weight487.93 g/mol
Exact Mass487.16
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N(C)Cc1ccc(Cl)cc1.O=C(NCc1ccc(C(F)(F)F)cc1F)N1CCCC1
InChIInChI=1S/C13H14F4N2O.C10H12ClNO/c14-11-7-10(13(15,16)17)4-3-9(11)8-18-12(20)19-5-1-2-6-19;1-8(13)12(2)7-9-3-5-10(11)6-4-9/h3-4,7H,1-2,5-6,8H2,(H,18,20);3-6H,7H2,1-2H3
InChIKeyQCIOLGKLUMCFMS-UHFFFAOYSA-N
XLogP5.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.93
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide 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 N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 143615162) is N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is CC(=O)N(C)Cc1ccc(Cl)cc1.O=C(NCc1ccc(C(F)(F)F)cc1F)N1CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is QCIOLGKLUMCFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O.C10H12ClNO/c14-11-7-10(13(15,16)17)4-3-9(11)8-18-12(20)19-5-1-2-6-19;1-8(13)12(2)7-9-3-5-10(11)6-4-9/h3-4,7H,1-2,5-6,8H2,(H,18,20);3-6H,7H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 487.93 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methylacetamide;N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 143615162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).