N-(2-adamantyl)-5-chloropentanamide

C15H24ClNO — CID 43699496

IUPACN-(2-adamantyl)-5-chloropentanamide
SMILESO=C(CCCCCl)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24ClNO/c16-4-2-1-3-14(18)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,1-9H2,(H,17,18)
InChIKeyFLMAVPOFAQOLQC-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.34
Rot. Bonds5

About N-(2-adamantyl)-5-chloropentanamide

N-(2-adamantyl)-5-chloropentanamide (PubChem CID 43699496) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-(2-adamantyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-chloropentanamide
PubChem CID43699496
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-(2-adamantyl)-5-chloropentanamide
SMILESO=C(CCCCCl)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24ClNO/c16-4-2-1-3-14(18)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,1-9H2,(H,17,18)
InChIKeyFLMAVPOFAQOLQC-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-chloropentanamide?
The IUPAC name of N-(2-adamantyl)-5-chloropentanamide (CID 43699496) is N-(2-adamantyl)-5-chloropentanamide.
What is the SMILES notation for N-(2-adamantyl)-5-chloropentanamide?
The canonical SMILES for N-(2-adamantyl)-5-chloropentanamide is O=C(CCCCCl)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-5-chloropentanamide?
The InChIKey is FLMAVPOFAQOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c16-4-2-1-3-14(18)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,1-9H2,(H,17,18).
What are the key properties of N-(2-adamantyl)-5-chloropentanamide?
N-(2-adamantyl)-5-chloropentanamide has a molecular weight of 269.82 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-chloropentanamide is sourced from PubChem (CID 43699496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).