N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C15H19FN2O3 — CID 70755247

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC[C@@H]1C[C@H](F)CN1)C(=O)CCC2
InChIInChI=1S/C15H19FN2O3/c1-8-13(14-11(19)3-2-4-12(14)21-8)15(20)18-7-10-5-9(16)6-17-10/h9-10,17H,2-7H2,1H3,(H,18,20)/t9-,10-/m0/s1
InChIKeyFHIYKSUKQRPUTE-UWVGGRQHSA-N
MW294.33 g/mol
LogP1.54
Rot. Bonds3

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 70755247) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID70755247
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC[C@@H]1C[C@H](F)CN1)C(=O)CCC2
InChIInChI=1S/C15H19FN2O3/c1-8-13(14-11(19)3-2-4-12(14)21-8)15(20)18-7-10-5-9(16)6-17-10/h9-10,17H,2-7H2,1H3,(H,18,20)/t9-,10-/m0/s1
InChIKeyFHIYKSUKQRPUTE-UWVGGRQHSA-N
XLogP1.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Methyl-4,5,6,7-Tetrahydro-Benzofuran-3-Carbonyl)-Amino]-Butyric Acid
CID 595720
N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 2943069
N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
CID 4851981
3-(2,7-diazaspiro[4.5]dec-7-ylcarbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one
CID 56757084
3-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)carbonyl]-2-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 70780440
N-1,9-dioxaspiro[5.5]undec-4-yl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 70780668
N-[2-(dimethylamino)ethyl]-2-methyl-5-propionyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide
CID 91925104
N-ethyl-2-methyl-5-propanoyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
CID 110876640
2-methyl-N-[[(1R,5S)-8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 126736609
2-methyl-N-[[8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 126736611
N-cyclopentyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
CID 17459855
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 26391498

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 70755247) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NC[C@@H]1C[C@H](F)CN1)C(=O)CCC2.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is FHIYKSUKQRPUTE-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-8-13(14-11(19)3-2-4-12(14)21-8)15(20)18-7-10-5-9(16)6-17-10/h9-10,17H,2-7H2,1H3,(H,18,20)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 70755247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).