N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide

C13H16F2N2O2 — CID 2956585

IUPACN-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(F)cc2F)CC(C)O1
InChIInChI=1S/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)
InChIKeyLTFFBQLSZOAGIS-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.61
Rot. Bonds1

About N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide

N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 2956585) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID2956585
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(F)cc2F)CC(C)O1
InChIInChI=1S/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)
InChIKeyLTFFBQLSZOAGIS-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 670650
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CID 2901892
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CID 2930103
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CID 4189582
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CID 4604894
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 2956585) is N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2ccc(F)cc2F)CC(C)O1.
What is the InChIKey of N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is LTFFBQLSZOAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 2956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).