3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide

C22H27FN2O2 — CID 113121143

IUPAC3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)CCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-16(2)20-6-4-5-7-21(20)24-22(27)13-15-25(17(3)26)14-12-18-8-10-19(23)11-9-18/h4-11,16H,12-15H2,1-3H3,(H,24,27)
InChIKeyVJRMWJLVSKEWPS-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.37
Rot. Bonds8

About 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide

3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113121143) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113121143
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)CCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-16(2)20-6-4-5-7-21(20)24-22(27)13-15-25(17(3)26)14-12-18-8-10-19(23)11-9-18/h4-11,16H,12-15H2,1-3H3,(H,24,27)
InChIKeyVJRMWJLVSKEWPS-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113121082
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 113152077
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 113121058
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164429
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113135416
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
CID 113121149
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide (CID 113121143) is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)C)CCc1ccc(F)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is VJRMWJLVSKEWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16(2)20-6-4-5-7-21(20)24-22(27)13-15-25(17(3)26)14-12-18-8-10-19(23)11-9-18/h4-11,16H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113121143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).