(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide

C16H23Cl2NO — CID 7929494

IUPAC(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23Cl2NO/c1-9(19-14(20)13-8-16(13,17)18)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-8H2,1H3,(H,19,20)/t9-,10?,11?,12?,13+,15?/m0/s1
InChIKeySEDGBECUCORZLM-DNXSLQQOSA-N
MW316.27 g/mol
LogP3.90
Rot. Bonds3

About (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide

(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 7929494) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID7929494
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23Cl2NO/c1-9(19-14(20)13-8-16(13,17)18)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-8H2,1H3,(H,19,20)/t9-,10?,11?,12?,13+,15?/m0/s1
InChIKeySEDGBECUCORZLM-DNXSLQQOSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.90
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-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
CID 7741613
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
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide
CID 7922706
N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63721859
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982449
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide (CID 7929494) is (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide is C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is SEDGBECUCORZLM-DNXSLQQOSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-9(19-14(20)13-8-16(13,17)18)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-8H2,1H3,(H,19,20)/t9-,10?,11?,12?,13+,15?/m0/s1.
What are the key properties of (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide?
(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 316.27 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 (1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 7929494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).