N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide

C16H21FN2O2 — CID 60577740

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC2CCc3cc(F)ccc32)CC(C)O1
InChIInChI=1S/C16H21FN2O2/c1-10-8-19(9-11(2)21-10)16(20)18-15-6-3-12-7-13(17)4-5-14(12)15/h4-5,7,10-11,15H,3,6,8-9H2,1-2H3,(H,18,20)
InChIKeyNAHYVPVRHRYXCA-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.63
Rot. Bonds1

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 60577740) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID60577740
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC2CCc3cc(F)ccc32)CC(C)O1
InChIInChI=1S/C16H21FN2O2/c1-10-8-19(9-11(2)21-10)16(20)18-15-6-3-12-7-13(17)4-5-14(12)15/h4-5,7,10-11,15H,3,6,8-9H2,1-2H3,(H,18,20)
InChIKeyNAHYVPVRHRYXCA-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
Urea, 1-(2-morpholinobutyryl)-3-(1-indanyl)-
CID 110875
1-Indanamine, N-(2-morpholinoacetyl)-
CID 110876
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
Urea, 1-(2-morpholinoacetyl)-3-(1-indanyl)-
CID 110889
Urea, 1-(2-morpholinopropionyl)-3-(1-indanyl)-
CID 110890
1-Cyclohexyl-3-(2-(4-fluorophenyl)-2-morpholinoethyl)urea
CID 18589037
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-N'-propylurea
CID 23723799

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide (CID 60577740) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)NC2CCc3cc(F)ccc32)CC(C)O1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is NAHYVPVRHRYXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-10-8-19(9-11(2)21-10)16(20)18-15-6-3-12-7-13(17)4-5-14(12)15/h4-5,7,10-11,15H,3,6,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 60577740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).