N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

C20H19FN2O2 — CID 26279242

IUPACN-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)C1=CCCC1
InChIInChI=1S/C20H19FN2O2/c21-18-10-15(14-6-3-7-22-11-14)8-16-9-17(25-19(16)18)12-23-20(24)13-4-1-2-5-13/h3-4,6-8,10-11,17H,1-2,5,9,12H2,(H,23,24)/t17-/m0/s1
InChIKeyFTDZTLWOANWFID-KRWDZBQOSA-N
MW338.38 g/mol
LogP3.42
Rot. Bonds4

About N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (PubChem CID 26279242) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
PubChem CID26279242
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)C1=CCCC1
InChIInChI=1S/C20H19FN2O2/c21-18-10-15(14-6-3-7-22-11-14)8-16-9-17(25-19(16)18)12-23-20(24)13-4-1-2-5-13/h3-4,6-8,10-11,17H,1-2,5,9,12H2,(H,23,24)/t17-/m0/s1
InChIKeyFTDZTLWOANWFID-KRWDZBQOSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide with MolForge

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Related Compounds

N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42480603
N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 42407346
N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42480684
N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26278009
N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42542174
N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45167267
6-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 126463805
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazine-2-carboxamide
CID 45181979
N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
CID 42340527
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757001
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 92757743
(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 42340244

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (CID 26279242) is N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is O=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)C1=CCCC1.
What is the InChIKey of N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The InChIKey is FTDZTLWOANWFID-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-18-10-15(14-6-3-7-22-11-14)8-16-9-17(25-19(16)18)12-23-20(24)13-4-1-2-5-13/h3-4,6-8,10-11,17H,1-2,5,9,12H2,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 26279242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).