N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide

C16H17ClN2O2 — CID 22481716

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc2occ(Cl)c2c1
InChIInChI=1S/C16H17ClN2O2/c17-14-9-21-15-2-1-11(6-13(14)15)16(20)18-12-5-10-3-4-19(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,18,20)
InChIKeyMAJJEUDQODMBOG-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.91
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide (PubChem CID 22481716) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
PubChem CID22481716
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc2occ(Cl)c2c1
InChIInChI=1S/C16H17ClN2O2/c17-14-9-21-15-2-1-11(6-13(14)15)16(20)18-12-5-10-3-4-19(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,18,20)
InChIKeyMAJJEUDQODMBOG-UHFFFAOYSA-N
XLogP2.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
3-chloro-N-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl-1-benzofuran-5-carboxamide
CID 139541471
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-6-carboxamide;(E)-but-2-enedioic acid
CID 20782085
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 66815146
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(4-methylfuran-2-yl)oxybenzamide
CID 22573755
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-chloro-4-oxo-1H-pyridine-2-carboxamide
CID 22243403
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide
CID 22389154
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide (CID 22481716) is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ccc2occ(Cl)c2c1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide?
The InChIKey is MAJJEUDQODMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-9-21-15-2-1-11(6-13(14)15)16(20)18-12-5-10-3-4-19(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,18,20).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 22481716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).