N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide

C16H24ClNO — CID 113273452

IUPACN-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide
SMILESO=C(NCC(Cl)C1CC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24ClNO/c17-14(11-1-2-11)8-18-16(19)15-12-4-9-3-10(6-12)7-13(15)5-9/h9-15H,1-8H2,(H,18,19)
InChIKeyUGCCUCPIFNZEFK-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.19
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide

N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide (PubChem CID 113273452) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide
PubChem CID113273452
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide
SMILESO=C(NCC(Cl)C1CC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24ClNO/c17-14(11-1-2-11)8-18-16(19)15-12-4-9-3-10(6-12)7-13(15)5-9/h9-15H,1-8H2,(H,18,19)
InChIKeyUGCCUCPIFNZEFK-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.19
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-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114305037
N-(2,3-dihydroxypropyl)adamantane-2-carboxamide
CID 81096560
N-(3-chloropropyl)adamantane-2-carboxamide
CID 81095692
N-propyladamantane-2-carboxamide
CID 78913673
N-(cyclohexylmethyl)adamantane-2-carboxamide
CID 55435889
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
CID 81095770
N-(2-amino-2-phenylethyl)adamantane-2-carboxamide
CID 119528854
N-[(3-chlorocyclohexyl)methyl]adamantane-2-carboxamide
CID 106131966
N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide
CID 106156810
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
CID 75416660

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide (CID 113273452) is N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide is O=C(NCC(Cl)C1CC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide?
The InChIKey is UGCCUCPIFNZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c17-14(11-1-2-11)8-18-16(19)15-12-4-9-3-10(6-12)7-13(15)5-9/h9-15H,1-8H2,(H,18,19).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide?
N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide has a molecular weight of 281.83 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide is sourced from PubChem (CID 113273452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).