N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide

C15H20F2N2O2 — CID 66426360

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CC1CNCCO1
InChIInChI=1S/C15H20F2N2O2/c1-10(11-3-4-13(16)14(17)7-11)19(2)15(20)8-12-9-18-5-6-21-12/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3
InChIKeyLBRHNRNCMMQCHU-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide (PubChem CID 66426360) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide
PubChem CID66426360
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CC1CNCCO1
InChIInChI=1S/C15H20F2N2O2/c1-10(11-3-4-13(16)14(17)7-11)19(2)15(20)8-12-9-18-5-6-21-12/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3
InChIKeyLBRHNRNCMMQCHU-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide (CID 66426360) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)CC1CNCCO1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide?
The InChIKey is LBRHNRNCMMQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(11-3-4-13(16)14(17)7-11)19(2)15(20)8-12-9-18-5-6-21-12/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide has a molecular weight of 298.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66426360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).