2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide

C21H25FN2O3 — CID 112801252

IUPAC2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)c1ccccc1OCCN(CC(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C21H25FN2O3/c1-15(2)24(14-21(26)23-18-10-8-17(22)9-11-18)12-13-27-20-7-5-4-6-19(20)16(3)25/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyXRXPSAAQTVQJBN-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.76
Rot. Bonds9

About 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide

2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 112801252) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide
PubChem CID112801252
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)c1ccccc1OCCN(CC(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C21H25FN2O3/c1-15(2)24(14-21(26)23-18-10-8-17(22)9-11-18)12-13-27-20-7-5-4-6-19(20)16(3)25/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyXRXPSAAQTVQJBN-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
CID 17430347
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
methyl 2-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176131
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide (CID 112801252) is 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide is CC(=O)c1ccccc1OCCN(CC(=O)Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is XRXPSAAQTVQJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15(2)24(14-21(26)23-18-10-8-17(22)9-11-18)12-13-27-20-7-5-4-6-19(20)16(3)25/h4-11,15H,12-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide?
2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetylphenoxy)ethyl-propan-2-ylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 112801252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).