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

C15H20F2N2O2 — CID 66429131

IUPACN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)CC1CNCCO1
InChIInChI=1S/C15H20F2N2O2/c1-2-19(10-11-3-4-13(16)14(17)7-11)15(20)8-12-9-18-5-6-21-12/h3-4,7,12,18H,2,5-6,8-10H2,1H3
InChIKeyYLAYXKBKBUFUNF-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.69
Rot. Bonds5

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

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide (PubChem CID 66429131) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide
PubChem CID66429131
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)CC1CNCCO1
InChIInChI=1S/C15H20F2N2O2/c1-2-19(10-11-3-4-13(16)14(17)7-11)15(20)8-12-9-18-5-6-21-12/h3-4,7,12,18H,2,5-6,8-10H2,1H3
InChIKeyYLAYXKBKBUFUNF-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide (CID 66429131) is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide is CCN(Cc1ccc(F)c(F)c1)C(=O)CC1CNCCO1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide?
The InChIKey is YLAYXKBKBUFUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-19(10-11-3-4-13(16)14(17)7-11)15(20)8-12-9-18-5-6-21-12/h3-4,7,12,18H,2,5-6,8-10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide?
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide has a molecular weight of 298.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66429131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).