2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide

C20H23FN2O2 — CID 113164396

IUPAC2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H23FN2O2/c1-14-5-4-6-15(2)20(14)22-19(25)13-23(16(3)24)12-11-17-7-9-18(21)10-8-17/h4-10H,11-13H2,1-3H3,(H,22,25)
InChIKeyRNPXFWOJSYYPEJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.47
Rot. Bonds6

About 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 113164396) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID113164396
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H23FN2O2/c1-14-5-4-6-15(2)20(14)22-19(25)13-23(16(3)24)12-11-17-7-9-18(21)10-8-17/h4-10H,11-13H2,1-3H3,(H,22,25)
InChIKeyRNPXFWOJSYYPEJ-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164445
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164429
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113164231
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
CID 9251811
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 113164396) is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide is CC(=O)N(CCc1ccc(F)cc1)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RNPXFWOJSYYPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-5-4-6-15(2)20(14)22-19(25)13-23(16(3)24)12-11-17-7-9-18(21)10-8-17/h4-10H,11-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113164396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).