2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H25FN2O — CID 18088505

IUPAC2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H25FN2O/c1-15-4-7-18(16(2)12-15)13-23(3)14-20(24)22-11-10-17-5-8-19(21)9-6-17/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyHIYOYYXIIJSUJJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.23
Rot. Bonds7

About 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 18088505) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID18088505
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H25FN2O/c1-15-4-7-18(16(2)12-15)13-23(3)14-20(24)22-11-10-17-5-8-19(21)9-6-17/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyHIYOYYXIIJSUJJ-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8695782
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9196994
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088813
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
N-(3,4-difluorophenyl)-2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8695732
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 18088511
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 18088505) is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide is Cc1ccc(CN(C)CC(=O)NCCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is HIYOYYXIIJSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15-4-7-18(16(2)12-15)13-23(3)14-20(24)22-11-10-17-5-8-19(21)9-6-17/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 328.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18088505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).