2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide

C21H25FN2O3 — CID 113164429

IUPAC2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C21H25FN2O3/c1-15(2)27-20-7-5-4-6-19(20)23-21(26)14-24(16(3)25)13-12-17-8-10-18(22)11-9-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyJAUMHUPXFSTIER-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.64
Rot. Bonds8

About 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 113164429) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID113164429
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C21H25FN2O3/c1-15(2)27-20-7-5-4-6-19(20)23-21(26)14-24(16(3)25)13-12-17-8-10-18(22)11-9-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyJAUMHUPXFSTIER-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 113164256
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280099
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 113164429) is 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide is CC(=O)N(CCc1ccc(F)cc1)CC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is JAUMHUPXFSTIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15(2)27-20-7-5-4-6-19(20)23-21(26)14-24(16(3)25)13-12-17-8-10-18(22)11-9-17/h4-11,15H,12-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113164429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).