7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

C17H21FN2O4 — CID 111698284

IUPAC7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc2cccc(F)c2o1)CN1CCOCC1
InChIInChI=1S/C17H21FN2O4/c1-17(22,11-20-5-7-23-8-6-20)10-19-16(21)14-9-12-3-2-4-13(18)15(12)24-14/h2-4,9,22H,5-8,10-11H2,1H3,(H,19,21)
InChIKeyMBCLGPDPKAXPGI-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.38
Rot. Bonds5

About 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 111698284) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID111698284
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc2cccc(F)c2o1)CN1CCOCC1
InChIInChI=1S/C17H21FN2O4/c1-17(22,11-20-5-7-23-8-6-20)10-19-16(21)14-9-12-3-2-4-13(18)15(12)24-14/h2-4,9,22H,5-8,10-11H2,1H3,(H,19,21)
InChIKeyMBCLGPDPKAXPGI-UHFFFAOYSA-N
XLogP1.38
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 111519900
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111486301
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
1-[(3-fluoro-2-pyridinyl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 75430513
N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
CID 164639309
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111698262
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 111698284) is 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is CC(O)(CNC(=O)c1cc2cccc(F)c2o1)CN1CCOCC1.
What is the InChIKey of 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is MBCLGPDPKAXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-17(22,11-20-5-7-23-8-6-20)10-19-16(21)14-9-12-3-2-4-13(18)15(12)24-14/h2-4,9,22H,5-8,10-11H2,1H3,(H,19,21).
What are the key properties of 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111698284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).