N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide

C19H24ClNO — CID 2930799

IUPACN-[2-(1-adamantyl)ethyl]-2-chlorobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C19H24ClNO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyDLXKIWBTHUZOKV-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide

N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide (PubChem CID 2930799) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-chlorobenzamide
PubChem CID2930799
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-chlorobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C19H24ClNO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyDLXKIWBTHUZOKV-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide (CID 2930799) is N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide?
The InChIKey is DLXKIWBTHUZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide?
N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide has a molecular weight of 317.86 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 2930799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).