N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

C22H28FN3O2 — CID 9039149

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C22H28FN3O2/c1-3-14-26(16-22(28)25-20-7-5-4-6-17(20)2)15-21(27)24-13-12-18-8-10-19(23)11-9-18/h4-11H,3,12-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYWYIHFGDALBSDI-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.14
Rot. Bonds10

About N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 9039149) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID9039149
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C22H28FN3O2/c1-3-14-26(16-22(28)25-20-7-5-4-6-17(20)2)15-21(27)24-13-12-18-8-10-19(23)11-9-18/h4-11H,3,12-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYWYIHFGDALBSDI-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 8810032
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9037832
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (CID 9039149) is N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccccc1C.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is YWYIHFGDALBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-3-14-26(16-22(28)25-20-7-5-4-6-17(20)2)15-21(27)24-13-12-18-8-10-19(23)11-9-18/h4-11H,3,12-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 9039149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).