N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide

C15H23Cl2NO — CID 7741613

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
SMILESC[C@H](NC(=O)C(C)(Cl)Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23Cl2NO/c1-9(18-13(19)14(2,16)17)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3,(H,18,19)/t9-,10?,11?,12?,15?/m0/s1
InChIKeyGIXFLVCLBSOLMW-RXOVYUGGSA-N
MW304.26 g/mol
LogP3.90
Rot. Bonds3

About N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide

N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide (PubChem CID 7741613) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
PubChem CID7741613
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
SMILESC[C@H](NC(=O)C(C)(Cl)Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23Cl2NO/c1-9(18-13(19)14(2,16)17)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3,(H,18,19)/t9-,10?,11?,12?,15?/m0/s1
InChIKeyGIXFLVCLBSOLMW-RXOVYUGGSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
N-[1-(1-adamantyl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 3762847
(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 7929494
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569418
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
N-[1-(1-adamantyl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51117791
N-[(1R)-1-(1-adamantyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 7309342

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide (CID 7741613) is N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide is C[C@H](NC(=O)C(C)(Cl)Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide?
The InChIKey is GIXFLVCLBSOLMW-RXOVYUGGSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-9(18-13(19)14(2,16)17)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3,(H,18,19)/t9-,10?,11?,12?,15?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide has a molecular weight of 304.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide is sourced from PubChem (CID 7741613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).