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

C17H17F3N2O2 — CID 9035433

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1F
InChIInChI=1S/C17H17F3N2O2/c1-22(10-12-4-2-3-5-15(12)18)11-16(23)21-13-6-8-14(9-7-13)24-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyQRUAPRQUIDWBFG-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.50
Rot. Bonds7

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

N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 9035433) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID9035433
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1F
InChIInChI=1S/C17H17F3N2O2/c1-22(10-12-4-2-3-5-15(12)18)11-16(23)21-13-6-8-14(9-7-13)24-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyQRUAPRQUIDWBFG-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
N-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436848
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18196296
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 9035433) is N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1F.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is QRUAPRQUIDWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-22(10-12-4-2-3-5-15(12)18)11-16(23)21-13-6-8-14(9-7-13)24-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 338.33 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).