N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide

C18H25FN2O2 — CID 10381344

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc2c1OCC2
InChIInChI=1S/C18H25FN2O2/c1-2-21-8-3-4-15(21)12-20-18(22)16-11-13(5-7-19)10-14-6-9-23-17(14)16/h10-11,15H,2-9,12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyCWZFPULIRZZZIC-HNNXBMFYSA-N
MW320.41 g/mol
LogP2.35
Rot. Bonds6

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 10381344) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID10381344
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc2c1OCC2
InChIInChI=1S/C18H25FN2O2/c1-2-21-8-3-4-15(21)12-20-18(22)16-11-13(5-7-19)10-14-6-9-23-17(14)16/h10-11,15H,2-9,12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyCWZFPULIRZZZIC-HNNXBMFYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[8-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3,4-dihydro-2H-chromen-6-yl]methanesulfinate
CID 174300316
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 70549576
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 20544723
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide;phosphoric acid
CID 20544695
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97426636
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 10381344) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide is CCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc2c1OCC2.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is CWZFPULIRZZZIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-21-8-3-4-15(21)12-20-18(22)16-11-13(5-7-19)10-14-6-9-23-17(14)16/h10-11,15H,2-9,12H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 10381344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).