2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide

C13H18F2N2O3 — CID 43214426

IUPAC2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
SMILESCCOc1cc(CNCC(=O)NC)ccc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-3-19-11-6-9(7-17-8-12(18)16-2)4-5-10(11)20-13(14)15/h4-6,13,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCNHBIBCLSQDAKL-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.52
Rot. Bonds8

About 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide (PubChem CID 43214426) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
PubChem CID43214426
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
SMILESCCOc1cc(CNCC(=O)NC)ccc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-3-19-11-6-9(7-17-8-12(18)16-2)4-5-10(11)20-13(14)15/h4-6,13,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCNHBIBCLSQDAKL-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
3-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 120509977
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropanenitrile
CID 62646901
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
CID 66169814
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanesulfonamide
CID 43552013
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide (CID 43214426) is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide is CCOc1cc(CNCC(=O)NC)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide?
The InChIKey is CNHBIBCLSQDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-3-19-11-6-9(7-17-8-12(18)16-2)4-5-10(11)20-13(14)15/h4-6,13,17H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide?
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide has a molecular weight of 288.29 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide is sourced from PubChem (CID 43214426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).