2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

C24H23F2NO3 — CID 55359274

IUPAC2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23F2NO3/c1-27(16-18-12-14-21(15-13-18)30-24(25)26)22(28)17-29-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3
InChIKeyFTEGSUNUCNXMDS-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.05
Rot. Bonds9

About 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (PubChem CID 55359274) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
PubChem CID55359274
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23F2NO3/c1-27(16-18-12-14-21(15-13-18)30-24(25)26)22(28)17-29-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3
InChIKeyFTEGSUNUCNXMDS-UHFFFAOYSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
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-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 119681798
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 87000610
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315086
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (CID 55359274) is 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The InChIKey is FTEGSUNUCNXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c1-27(16-18-12-14-21(15-13-18)30-24(25)26)22(28)17-29-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3.
What are the key properties of 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide has a molecular weight of 411.45 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 55359274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).