2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

C13H20ClNO — CID 43700055

IUPAC2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESCC(Cl)C(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20ClNO/c1-7(14)13(16)15-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12H,2-6H2,1H3,(H,15,16)
InChIKeyGPNLBQWPVPLAGE-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.55
Rot. Bonds2

About 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (PubChem CID 43700055) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
PubChem CID43700055
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESCC(Cl)C(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20ClNO/c1-7(14)13(16)15-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12H,2-6H2,1H3,(H,15,16)
InChIKeyGPNLBQWPVPLAGE-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
2-methyl-N'-(8-tricyclo[5.2.1.02,6]decanyl)propanehydrazide
CID 58683007
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
CID 43402411
2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid
CID 61455278
3-(ethylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 62839360
1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124864947
(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124859152
3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The IUPAC name of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (CID 43700055) is 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.
What is the SMILES notation for 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The canonical SMILES for 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is CC(Cl)C(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The InChIKey is GPNLBQWPVPLAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-7(14)13(16)15-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide has a molecular weight of 241.76 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is sourced from PubChem (CID 43700055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).