N-(2-chlorocyclopentyl)adamantane-2-carboxamide

C16H24ClNO — CID 106443807

IUPACN-(2-chlorocyclopentyl)adamantane-2-carboxamide
SMILESO=C(NC1CCCC1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24ClNO/c17-13-2-1-3-14(13)18-16(19)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-15H,1-8H2,(H,18,19)
InChIKeyTUFSDUKOKCJUIK-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.33
Rot. Bonds2

About N-(2-chlorocyclopentyl)adamantane-2-carboxamide

N-(2-chlorocyclopentyl)adamantane-2-carboxamide (PubChem CID 106443807) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)adamantane-2-carboxamide
PubChem CID106443807
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(2-chlorocyclopentyl)adamantane-2-carboxamide
SMILESO=C(NC1CCCC1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24ClNO/c17-13-2-1-3-14(13)18-16(19)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-15H,1-8H2,(H,18,19)
InChIKeyTUFSDUKOKCJUIK-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.33
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-chloro-N-(2,2-dimethylpropyl)adamantane-2-carboxamide
CID 12484567
N-(2-adamantyl)-5-chloropentanamide
CID 43699496
N-cyclopentyladamantane-2-carboxamide
CID 51250757
N-(2-chloroethyl)-N-propan-2-yladamantane-2-carboxamide
CID 81095480
N-(3-chloropropyl)adamantane-2-carboxamide
CID 81095692
2-Adamantyl-[2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 81095707
N-(2-chloroethyl)adamantane-2-carboxamide
CID 81095776
N-(3-chloropropyl)-N-propan-2-yladamantane-2-carboxamide
CID 81096415
N-[(2-aminocyclopentyl)methyl]adamantane-2-carboxamide
CID 81099323
N-[2-(aminomethyl)cyclopentyl]adamantane-2-carboxamide
CID 81099558
N-(2-chloroethyl)-N-cyclopentyladamantane-2-carboxamide
CID 81100271
2-Adamantyl-[2-(chloromethyl)piperidin-1-yl]methanone
CID 81100272

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)adamantane-2-carboxamide (CID 106443807) is N-(2-chlorocyclopentyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)adamantane-2-carboxamide is O=C(NC1CCCC1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-chlorocyclopentyl)adamantane-2-carboxamide?
The InChIKey is TUFSDUKOKCJUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c17-13-2-1-3-14(13)18-16(19)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-15H,1-8H2,(H,18,19).
What are the key properties of N-(2-chlorocyclopentyl)adamantane-2-carboxamide?
N-(2-chlorocyclopentyl)adamantane-2-carboxamide has a molecular weight of 281.83 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)adamantane-2-carboxamide is sourced from PubChem (CID 106443807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).