N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide

C17H26ClNO — CID 106444137

IUPACN-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NC1CCCC1Cl)(C3)C2
InChIInChI=1S/C17H26ClNO/c1-16-6-11-5-12(7-16)9-17(8-11,10-16)15(20)19-14-4-2-3-13(14)18/h11-14H,2-10H2,1H3,(H,19,20)
InChIKeyVZNVYKDJIWISFT-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.87
Rot. Bonds2

About N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide

N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide (PubChem CID 106444137) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide
PubChem CID106444137
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NC1CCCC1Cl)(C3)C2
InChIInChI=1S/C17H26ClNO/c1-16-6-11-5-12(7-16)9-17(8-11,10-16)15(20)19-14-4-2-3-13(14)18/h11-14H,2-10H2,1H3,(H,19,20)
InChIKeyVZNVYKDJIWISFT-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.87
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

N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
CID 113402725
3-methyl-N-(2-pyrrolidin-2-ylethyl)adamantane-1-carboxamide
CID 114793932
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
CID 104972040
2-cyclohexyl-1-(3-methyl-1-adamantyl)ethanone
CID 114967613
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
N-(1-chloro-4-methylpentan-3-yl)-3-methyladamantane-1-carboxamide
CID 106354648
(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone
CID 114975070
N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
CID 122566890
N-(1-chloro-3-methoxypropan-2-yl)-3-methyladamantane-1-carboxamide
CID 106182954
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide (CID 106444137) is N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide is CC12CC3CC(C1)CC(C(=O)NC1CCCC1Cl)(C3)C2.
What is the InChIKey of N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide?
The InChIKey is VZNVYKDJIWISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-16-6-11-5-12(7-16)9-17(8-11,10-16)15(20)19-14-4-2-3-13(14)18/h11-14H,2-10H2,1H3,(H,19,20).
What are the key properties of N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide?
N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide has a molecular weight of 295.85 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide is sourced from PubChem (CID 106444137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).