3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

C21H24F2N2O3 — CID 86922903

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H24F2N2O3/c1-3-16-6-4-5-7-18(16)24-19(26)14-25(2)20(27)13-10-15-8-11-17(12-9-15)28-21(22)23/h4-9,11-12,21H,3,10,13-14H2,1-2H3,(H,24,26)
InChIKeyYVVBENUYSAJBNK-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.88
Rot. Bonds9

About 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 86922903) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID86922903
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H24F2N2O3/c1-3-16-6-4-5-7-18(16)24-19(26)14-25(2)20(27)13-10-15-8-11-17(12-9-15)28-21(22)23/h4-9,11-12,21H,3,10,13-14H2,1-2H3,(H,24,26)
InChIKeyYVVBENUYSAJBNK-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
CID 27096760
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
3-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18112807
2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 38688648
N-(2-ethylphenyl)-2-[methyl-[(4-phenoxyphenyl)carbamoyl]amino]acetamide
CID 55696777
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide
CID 87000636
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 86922903) is 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is CCc1ccccc1NC(=O)CN(C)C(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is YVVBENUYSAJBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-3-16-6-4-5-7-18(16)24-19(26)14-25(2)20(27)13-10-15-8-11-17(12-9-15)28-21(22)23/h4-9,11-12,21H,3,10,13-14H2,1-2H3,(H,24,26).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 390.43 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 86922903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).