2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide

C21H24F2N2O3 — CID 38688648

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H24F2N2O3/c1-3-12-25(14-19(26)24-18-7-5-4-6-15(18)2)20(27)13-16-8-10-17(11-9-16)28-21(22)23/h4-11,21H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyGOYZCQPJBSDKEU-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.02
Rot. Bonds9

About 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide

2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide (PubChem CID 38688648) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
PubChem CID38688648
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H24F2N2O3/c1-3-12-25(14-19(26)24-18-7-5-4-6-15(18)2)20(27)13-16-8-10-17(11-9-16)28-21(22)23/h4-11,21H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyGOYZCQPJBSDKEU-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 112800275
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
2-[[2-(2-ethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 55327341
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 86922903
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
N-[2-(2-methylanilino)-2-oxoethyl]-2-[1-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112801015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide (CID 38688648) is 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is GOYZCQPJBSDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-3-12-25(14-19(26)24-18-7-5-4-6-15(18)2)20(27)13-16-8-10-17(11-9-16)28-21(22)23/h4-11,21H,3,12-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide?
2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 390.43 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 38688648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).