4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide

C17H18F4N2O4 — CID 97222387

IUPAC4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C17H18F4N2O4/c1-8-10(11-12(18)13(19)14(20)15(21)16(11)27-8)17(25)22-6-9(24)7-23-2-4-26-5-3-23/h9,24H,2-7H2,1H3,(H,22,25)/t9-/m1/s1
InChIKeyLYMAMJAGYRLXIQ-SECBINFHSA-N
MW390.33 g/mol
LogP1.72
Rot. Bonds5

About 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide

4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 97222387) has the molecular formula C17H18F4N2O4 and a molecular weight of 390.33 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID97222387
Molecular FormulaC17H18F4N2O4
Molecular Weight390.33 g/mol
Exact Mass390.12
IUPAC Name4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C17H18F4N2O4/c1-8-10(11-12(18)13(19)14(20)15(21)16(11)27-8)17(25)22-6-9(24)7-23-2-4-26-5-3-23/h9,24H,2-7H2,1H3,(H,22,25)/t9-/m1/s1
InChIKeyLYMAMJAGYRLXIQ-SECBINFHSA-N
XLogP1.72
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide
CID 110887574
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
CID 126828439
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
CID 888968
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 10225366
N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112818170
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 87930355
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 110887236

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide (CID 97222387) is 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC[C@@H](O)CN1CCOCC1.
What is the InChIKey of 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LYMAMJAGYRLXIQ-SECBINFHSA-N. The full InChI is InChI=1S/C17H18F4N2O4/c1-8-10(11-12(18)13(19)14(20)15(21)16(11)27-8)17(25)22-6-9(24)7-23-2-4-26-5-3-23/h9,24H,2-7H2,1H3,(H,22,25)/t9-/m1/s1.
What are the key properties of 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide?
4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97222387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).