N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H27ClN2O2 — CID 19856772

IUPACN-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC2CC3CCCN(C3)C2)cc(Cl)c2c1CCCC2
InChIInChI=1S/C20H27ClN2O2/c1-25-19-16-7-3-2-6-15(16)18(21)10-17(19)20(24)22-14-9-13-5-4-8-23(11-13)12-14/h10,13-14H,2-9,11-12H2,1H3,(H,22,24)
InChIKeyONGPMBXFCMTKPY-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.44
Rot. Bonds3

About N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 19856772) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID19856772
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC2CC3CCCN(C3)C2)cc(Cl)c2c1CCCC2
InChIInChI=1S/C20H27ClN2O2/c1-25-19-16-7-3-2-6-15(16)18(21)10-17(19)20(24)22-14-9-13-5-4-8-23(11-13)12-14/h10,13-14H,2-9,11-12H2,1H3,(H,22,24)
InChIKeyONGPMBXFCMTKPY-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 19856772) is N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is COc1c(C(=O)NC2CC3CCCN(C3)C2)cc(Cl)c2c1CCCC2.
What is the InChIKey of N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ONGPMBXFCMTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-25-19-16-7-3-2-6-15(16)18(21)10-17(19)20(24)22-14-9-13-5-4-8-23(11-13)12-14/h10,13-14H,2-9,11-12H2,1H3,(H,22,24).
What are the key properties of N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.3.1]nonan-3-yl)-4-chloro-1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 19856772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).