3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide

C16H23FN2O3 — CID 111912448

IUPAC3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(O)CN2CCOCC2)cc1F
InChIInChI=1S/C16H23FN2O3/c1-12-3-4-13(9-15(12)17)16(21)18(2)10-14(20)11-19-5-7-22-8-6-19/h3-4,9,14,20H,5-8,10-11H2,1-2H3
InChIKeyQJQJCJAXZNXTGW-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.90
Rot. Bonds5

About 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide

3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide (PubChem CID 111912448) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
PubChem CID111912448
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(O)CN2CCOCC2)cc1F
InChIInChI=1S/C16H23FN2O3/c1-12-3-4-13(9-15(12)17)16(21)18(2)10-14(20)11-19-5-7-22-8-6-19/h3-4,9,14,20H,5-8,10-11H2,1-2H3
InChIKeyQJQJCJAXZNXTGW-UHFFFAOYSA-N
XLogP0.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N-Benzoylmorpholine
CID 15114
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
4-Methyl-N~1~-(3-morpholino-3-oxopropyl)benzamide
CID 2977005
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 3958817
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
CID 660329
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
(4-Methylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 847672
4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 1739911

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide (CID 111912448) is 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(O)CN2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide?
The InChIKey is QJQJCJAXZNXTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-12-3-4-13(9-15(12)17)16(21)18(2)10-14(20)11-19-5-7-22-8-6-19/h3-4,9,14,20H,5-8,10-11H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide?
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide has a molecular weight of 310.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 111912448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).