4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide

C13H17FN2O3 — CID 83095713

IUPAC4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
SMILESCC(O)c1cc(F)ccc1N1CCOCC1C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-8(17)10-6-9(14)2-3-11(10)16-4-5-19-7-12(16)13(15)18/h2-3,6,8,12,17H,4-5,7H2,1H3,(H2,15,18)
InChIKeyHQKNKYMCPJNXOO-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.57
Rot. Bonds3

About 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide

4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83095713) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
PubChem CID83095713
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
SMILESCC(O)c1cc(F)ccc1N1CCOCC1C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-8(17)10-6-9(14)2-3-11(10)16-4-5-19-7-12(16)13(15)18/h2-3,6,8,12,17H,4-5,7H2,1H3,(H2,15,18)
InChIKeyHQKNKYMCPJNXOO-UHFFFAOYSA-N
XLogP0.57
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluoro-6-(morpholin-4-yl)phenyl)ethan-1-ol
CID 43505881
(3-Fluoro-2-(3-methylmorpholin-4-yl)phenyl)methanol
CID 108319846
rac-(2-((2R,6S)-2,6-dimethylmorpholin-4-yl)-3-fluorophenyl)methanol
CID 108320499
2-[2-(Hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one
CID 4880440
4-Hydroxy-3-morpholino-carbostyril
CID 54705723
N-(2-fluoro-5-methylphenyl)-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 132469734
N-(2,6-dimethylphenyl)-2-[ethyl-[2-[ethyl-[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]amino]acetamide
CID 10273331
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 11509590
2-[4-[4-Fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]acetamide
CID 17988744
(2-(2-Morpholinoethylamino)-3-fluorophenyl)methanol
CID 57774478
N-benzyl-2-(1,3-dioxol-4-yl)-2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]acetamide
CID 66933999
N-benzyl-2-[4-[4,5-difluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-2-(1,3-dioxol-4-yl)acetamide
CID 66934130

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide (CID 83095713) is 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide is CC(O)c1cc(F)ccc1N1CCOCC1C(N)=O.
What is the InChIKey of 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is HQKNKYMCPJNXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(17)10-6-9(14)2-3-11(10)16-4-5-19-7-12(16)13(15)18/h2-3,6,8,12,17H,4-5,7H2,1H3,(H2,15,18).
What are the key properties of 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).