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

C13H16F2N2O2 — CID 66427472

IUPACN-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NCc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-10-2-1-9(12(15)5-10)7-17-13(18)6-11-8-16-3-4-19-11/h1-2,5,11,16H,3-4,6-8H2,(H,17,18)
InChIKeyLOKJILCOHVMVNQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.96
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide (PubChem CID 66427472) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide
PubChem CID66427472
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NCc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-10-2-1-9(12(15)5-10)7-17-13(18)6-11-8-16-3-4-19-11/h1-2,5,11,16H,3-4,6-8H2,(H,17,18)
InChIKeyLOKJILCOHVMVNQ-UHFFFAOYSA-N
XLogP0.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide (CID 66427472) is N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide?
The InChIKey is LOKJILCOHVMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-10-2-1-9(12(15)5-10)7-17-13(18)6-11-8-16-3-4-19-11/h1-2,5,11,16H,3-4,6-8H2,(H,17,18).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide?
N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide has a molecular weight of 270.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66427472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).