N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

C19H18ClN3O2 — CID 26278009

IUPACN-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1)C1=CCCC1
InChIInChI=1S/C19H18ClN3O2/c20-16-9-13(17-11-21-5-6-22-17)7-14-8-15(25-18(14)16)10-23-19(24)12-3-1-2-4-12/h3,5-7,9,11,15H,1-2,4,8,10H2,(H,23,24)/t15-/m1/s1
InChIKeyTVXCELGERZXBIF-OAHLLOKOSA-N
MW355.83 g/mol
LogP3.33
Rot. Bonds4

About N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (PubChem CID 26278009) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
PubChem CID26278009
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1)C1=CCCC1
InChIInChI=1S/C19H18ClN3O2/c20-16-9-13(17-11-21-5-6-22-17)7-14-8-15(25-18(14)16)10-23-19(24)12-3-1-2-4-12/h3,5-7,9,11,15H,1-2,4,8,10H2,(H,23,24)/t15-/m1/s1
InChIKeyTVXCELGERZXBIF-OAHLLOKOSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide with MolForge

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Related Compounds

N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 45248622
N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42542174
N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26279242
N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42480603
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 45172376
N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 42190161
N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 42339954
N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide
CID 126462693
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
CID 45169660
N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 45173766
N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopentylacetamide
CID 45190040
methyl 3-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate
CID 42381976

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (CID 26278009) is N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is O=C(NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1)C1=CCCC1.
What is the InChIKey of N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The InChIKey is TVXCELGERZXBIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-16-9-13(17-11-21-5-6-22-17)7-14-8-15(25-18(14)16)10-23-19(24)12-3-1-2-4-12/h3,5-7,9,11,15H,1-2,4,8,10H2,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 26278009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).