2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide

C13H18F2N2O3 — CID 43214494

IUPAC2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)C)cc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-17(2)12(18)8-16-7-9-4-5-10(19-3)11(6-9)20-13(14)15/h4-6,13,16H,7-8H2,1-3H3
InChIKeyBEGSYZPXYKSJKX-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.47
Rot. Bonds7

About 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide

2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide (PubChem CID 43214494) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
PubChem CID43214494
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)C)cc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-17(2)12(18)8-16-7-9-4-5-10(19-3)11(6-9)20-13(14)15/h4-6,13,16H,7-8H2,1-3H3
InChIKeyBEGSYZPXYKSJKX-UHFFFAOYSA-N
XLogP1.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide (CID 43214494) is 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide is COc1ccc(CNCC(=O)N(C)C)cc1OC(F)F.
What is the InChIKey of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide?
The InChIKey is BEGSYZPXYKSJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-17(2)12(18)8-16-7-9-4-5-10(19-3)11(6-9)20-13(14)15/h4-6,13,16H,7-8H2,1-3H3.
What are the key properties of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide?
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide has a molecular weight of 288.29 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43214494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).