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

C17H17BrF2N2O2 — CID 9024086

IUPACN-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17BrF2N2O2/c1-22(10-12-6-8-13(9-7-12)24-17(19)20)11-16(23)21-15-5-3-2-4-14(15)18/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyBSHCSWACGWWXKF-UHFFFAOYSA-N
MW399.24 g/mol
LogP4.12
Rot. Bonds7

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

N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (PubChem CID 9024086) has the molecular formula C17H17BrF2N2O2 and a molecular weight of 399.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
PubChem CID9024086
Molecular FormulaC17H17BrF2N2O2
Molecular Weight399.24 g/mol
Exact Mass398.04
IUPAC NameN-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17BrF2N2O2/c1-22(10-12-6-8-13(9-7-12)24-17(19)20)11-16(23)21-15-5-3-2-4-14(15)18/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyBSHCSWACGWWXKF-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
CID 27096760
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594676
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9024007
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (CID 9024086) is N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Br)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The InChIKey is BSHCSWACGWWXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O2/c1-22(10-12-6-8-13(9-7-12)24-17(19)20)11-16(23)21-15-5-3-2-4-14(15)18/h2-9,17H,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide has a molecular weight of 399.24 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 9024086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).