N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide

C12H15ClN2O2 — CID 61237544

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(Cl)o1
InChIInChI=1S/C12H15ClN2O2/c13-11-4-3-10(17-11)12(16)15-9-5-7-1-2-8(6-9)14-7/h3-4,7-9,14H,1-2,5-6H2,(H,15,16)
InChIKeyADRPTFUZZAPUSC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.95
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide (PubChem CID 61237544) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
PubChem CID61237544
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(Cl)o1
InChIInChI=1S/C12H15ClN2O2/c13-11-4-3-10(17-11)12(16)15-9-5-7-1-2-8(6-9)14-7/h3-4,7-9,14H,1-2,5-6H2,(H,15,16)
InChIKeyADRPTFUZZAPUSC-UHFFFAOYSA-N
XLogP1.95
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 138024474
5-chloro-N-(oxolan-3-yl)furan-2-carboxamide
CID 103839350
5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide
CID 103678730
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)furan-2-carboxamide
CID 104693605
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606885
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide (CID 61237544) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide is O=C(NC1CC2CCC(C1)N2)c1ccc(Cl)o1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide?
The InChIKey is ADRPTFUZZAPUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-4-3-10(17-11)12(16)15-9-5-7-1-2-8(6-9)14-7/h3-4,7-9,14H,1-2,5-6H2,(H,15,16).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 61237544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).