N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide

C26H25F3N2O — CID 118304996

IUPACN-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide
SMILESCc1ccc(CNC2CC2c2ccc(N(Cc3ccccc3)C(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H25F3N2O/c1-18-7-9-19(10-8-18)16-30-24-15-23(24)21-11-13-22(14-12-21)31(25(32)26(27,28)29)17-20-5-3-2-4-6-20/h2-14,23-24,30H,15-17H2,1H3
InChIKeyJGQYUCHDGSMSJB-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.74
Rot. Bonds7

About N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide (PubChem CID 118304996) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide
PubChem CID118304996
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide
SMILESCc1ccc(CNC2CC2c2ccc(N(Cc3ccccc3)C(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H25F3N2O/c1-18-7-9-19(10-8-18)16-30-24-15-23(24)21-11-13-22(14-12-21)31(25(32)26(27,28)29)17-20-5-3-2-4-6-20/h2-14,23-24,30H,15-17H2,1H3
InChIKeyJGQYUCHDGSMSJB-UHFFFAOYSA-N
XLogP5.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]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 N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide (CID 118304996) is N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide is Cc1ccc(CNC2CC2c2ccc(N(Cc3ccccc3)C(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide?
The InChIKey is JGQYUCHDGSMSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O/c1-18-7-9-19(10-8-18)16-30-24-15-23(24)21-11-13-22(14-12-21)31(25(32)26(27,28)29)17-20-5-3-2-4-6-20/h2-14,23-24,30H,15-17H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 118304996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).