2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide

C20H23FN2O2 — CID 113162237

IUPAC2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)Cc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-14(2)16-8-10-18(11-9-16)22-20(25)13-23(15(3)24)12-17-6-4-5-7-19(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyWHJPWFHSTCZUGV-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.94
Rot. Bonds6

About 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113162237) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113162237
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)Cc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-14(2)16-8-10-18(11-9-16)22-20(25)13-23(15(3)24)12-17-6-4-5-7-19(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyWHJPWFHSTCZUGV-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 113162306
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide (CID 113162237) is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)Cc1ccccc1F.
What is the InChIKey of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WHJPWFHSTCZUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(2)16-8-10-18(11-9-16)22-20(25)13-23(15(3)24)12-17-6-4-5-7-19(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113162237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).