N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide

C13H17F2NO3 — CID 115587549

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(18-3)12(17)16(2)8-10-4-6-11(7-5-10)19-13(14)15/h4-7,9,13H,8H2,1-3H3
InChIKeyCLXIJOLBDIYRMW-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.28
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide (PubChem CID 115587549) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
PubChem CID115587549
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(18-3)12(17)16(2)8-10-4-6-11(7-5-10)19-13(14)15/h4-7,9,13H,8H2,1-3H3
InChIKeyCLXIJOLBDIYRMW-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739220
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide (CID 115587549) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide is COC(C)C(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is CLXIJOLBDIYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-9(18-3)12(17)16(2)8-10-4-6-11(7-5-10)19-13(14)15/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide has a molecular weight of 273.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 115587549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).