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

C17H16BrF2NO2 — CID 78807837

IUPACN-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16BrF2NO2/c1-21(11-13-2-6-14(18)7-3-13)16(22)10-12-4-8-15(9-5-12)23-17(19)20/h2-9,17H,10-11H2,1H3
InChIKeySZLSPXKIZZRNQM-UHFFFAOYSA-N
MW384.22 g/mol
LogP4.25
Rot. Bonds6

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

N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide (PubChem CID 78807837) has the molecular formula C17H16BrF2NO2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
PubChem CID78807837
Molecular FormulaC17H16BrF2NO2
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC NameN-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16BrF2NO2/c1-21(11-13-2-6-14(18)7-3-13)16(22)10-12-4-8-15(9-5-12)23-17(19)20/h2-9,17H,10-11H2,1H3
InChIKeySZLSPXKIZZRNQM-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2475782
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
CID 94082091
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
4-(3-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55344255
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide (CID 78807837) is N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide is CN(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide?
The InChIKey is SZLSPXKIZZRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO2/c1-21(11-13-2-6-14(18)7-3-13)16(22)10-12-4-8-15(9-5-12)23-17(19)20/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide?
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide has a molecular weight of 384.22 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide is sourced from PubChem (CID 78807837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).