2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

C17H15Cl2F2NO3 — CID 112778072

IUPAC2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2F2NO3/c1-22(9-11-2-4-14(5-3-11)25-17(20)21)16(23)10-24-15-7-12(18)6-13(19)8-15/h2-8,17H,9-10H2,1H3
InChIKeyZMTXUWXLPVYCRA-UHFFFAOYSA-N
MW390.21 g/mol
LogP4.63
Rot. Bonds7

About 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (PubChem CID 112778072) has the molecular formula C17H15Cl2F2NO3 and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
PubChem CID112778072
Molecular FormulaC17H15Cl2F2NO3
Molecular Weight390.21 g/mol
Exact Mass389.04
IUPAC Name2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2F2NO3/c1-22(9-11-2-4-14(5-3-11)25-17(20)21)16(23)10-24-15-7-12(18)6-13(19)8-15/h2-8,17H,9-10H2,1H3
InChIKeyZMTXUWXLPVYCRA-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55313801
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 78762062
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 55391580
2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 39428702
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55359274
2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 87000610

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (CID 112778072) is 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The InChIKey is ZMTXUWXLPVYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2NO3/c1-22(9-11-2-4-14(5-3-11)25-17(20)21)16(23)10-24-15-7-12(18)6-13(19)8-15/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide has a molecular weight of 390.21 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 112778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).