2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C20H25FN2O — CID 2574221

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C20H25FN2O/c1-14(2)18-10-5-7-15(3)20(18)22-19(24)13-23(4)12-16-8-6-9-17(21)11-16/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyCCKHOZLCLWMZDK-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.33
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 2574221) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID2574221
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C20H25FN2O/c1-14(2)18-10-5-7-15(3)20(18)22-19(24)13-23(4)12-16-8-6-9-17(21)11-16/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyCCKHOZLCLWMZDK-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)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-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 2574221) is 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is CCKHOZLCLWMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-14(2)18-10-5-7-15(3)20(18)22-19(24)13-23(4)12-16-8-6-9-17(21)11-16/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 328.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2574221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).