N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

C14H18F2N2O3 — CID 102935980

IUPACN-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2c(F)cccc2F)CC(CO)O1
InChIInChI=1S/C14H18F2N2O3/c1-9-5-18(6-10(8-19)21-9)7-13(20)17-14-11(15)3-2-4-12(14)16/h2-4,9-10,19H,5-8H2,1H3,(H,17,20)
InChIKeyXJKKEXHFKODPSE-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.98
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (PubChem CID 102935980) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
PubChem CID102935980
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC NameN-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2c(F)cccc2F)CC(CO)O1
InChIInChI=1S/C14H18F2N2O3/c1-9-5-18(6-10(8-19)21-9)7-13(20)17-14-11(15)3-2-4-12(14)16/h2-4,9-10,19H,5-8H2,1H3,(H,17,20)
InChIKeyXJKKEXHFKODPSE-UHFFFAOYSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936061
N-(3-fluoro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935699
N-[4-(aminomethyl)phenyl]-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932274
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
CID 102933552
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932812
N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932232
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 102935920
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978
N-(5-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932176
N'-acetyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetohydrazide
CID 102936068

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (CID 102935980) is N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is CC1CN(CC(=O)Nc2c(F)cccc2F)CC(CO)O1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The InChIKey is XJKKEXHFKODPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-9-5-18(6-10(8-19)21-9)7-13(20)17-14-11(15)3-2-4-12(14)16/h2-4,9-10,19H,5-8H2,1H3,(H,17,20).
What are the key properties of N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide has a molecular weight of 300.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 102935980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).