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

C14H18F2N2O2 — CID 66428062

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)CC1CNCCO1
InChIInChI=1S/C14H18F2N2O2/c1-18(9-10-2-3-12(15)13(16)6-10)14(19)7-11-8-17-4-5-20-11/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyJSAISOVAJREWQG-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.30
Rot. Bonds4

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

N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide (PubChem CID 66428062) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
PubChem CID66428062
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)CC1CNCCO1
InChIInChI=1S/C14H18F2N2O2/c1-18(9-10-2-3-12(15)13(16)6-10)14(19)7-11-8-17-4-5-20-11/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyJSAISOVAJREWQG-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.30
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-methyl-2-morpholin-2-ylacetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide (CID 66428062) is N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide is CN(Cc1ccc(F)c(F)c1)C(=O)CC1CNCCO1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide?
The InChIKey is JSAISOVAJREWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-18(9-10-2-3-12(15)13(16)6-10)14(19)7-11-8-17-4-5-20-11/h2-3,6,11,17H,4-5,7-9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide?
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide has a molecular weight of 284.31 g/mol, XLogP of 1.30, 4 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-methyl-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66428062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).