N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane

C16H23ClN2O — CID 176941389

IUPACN-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
SMILESCCC.O=C(Nc1ccc(Cl)cc1)N1C2CCCC1C2
InChIInChI=1S/C13H15ClN2O.C3H8/c14-9-4-6-10(7-5-9)15-13(17)16-11-2-1-3-12(16)8-11;1-3-2/h4-7,11-12H,1-3,8H2,(H,15,17);3H2,1-2H3
InChIKeyJNTWRRLAXMHRQE-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.91
Rot. Bonds1

About N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane

N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane (PubChem CID 176941389) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
PubChem CID176941389
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
SMILESCCC.O=C(Nc1ccc(Cl)cc1)N1C2CCCC1C2
InChIInChI=1S/C13H15ClN2O.C3H8/c14-9-4-6-10(7-5-9)15-13(17)16-11-2-1-3-12(16)8-11;1-3-2/h4-7,11-12H,1-3,8H2,(H,15,17);3H2,1-2H3
InChIKeyJNTWRRLAXMHRQE-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-N-[4-(aminomethyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941166
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide
CID 110190058
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110437
(1R,5S)-3-acetamido-N-(4-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403546
N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide
CID 102434601
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-methyl-3-pyrimidin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176631
N-[4-methyl-3-(3-methyl-1-bicyclo[1.1.1]pentanyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941371

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane?
The IUPAC name of N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane (CID 176941389) is N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane.
What is the SMILES notation for N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane?
The canonical SMILES for N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane is CCC.O=C(Nc1ccc(Cl)cc1)N1C2CCCC1C2.
What is the InChIKey of N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane?
The InChIKey is JNTWRRLAXMHRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.C3H8/c14-9-4-6-10(7-5-9)15-13(17)16-11-2-1-3-12(16)8-11;1-3-2/h4-7,11-12H,1-3,8H2,(H,15,17);3H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane?
N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane has a molecular weight of 294.83 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane is sourced from PubChem (CID 176941389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).