N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide

C20H25Cl2NO — CID 7929641

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25Cl2NO/c1-12(20-9-13-4-14(10-20)6-15(5-13)11-20)23-19(24)7-16-2-3-17(21)8-18(16)22/h2-3,8,12-15H,4-7,9-11H2,1H3,(H,23,24)/t12-,13?,14?,15?,20?/m0/s1
InChIKeyAUEPUFWVIHANHS-PGBBXINNSA-N
MW366.33 g/mol
LogP5.26
Rot. Bonds4

About N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide (PubChem CID 7929641) has the molecular formula C20H25Cl2NO and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
PubChem CID7929641
Molecular FormulaC20H25Cl2NO
Molecular Weight366.33 g/mol
Exact Mass365.13
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25Cl2NO/c1-12(20-9-13-4-14(10-20)6-15(5-13)11-20)23-19(24)7-16-2-3-17(21)8-18(16)22/h2-3,8,12-15H,4-7,9-11H2,1H3,(H,23,24)/t12-,13?,14?,15?,20?/m0/s1
InChIKeyAUEPUFWVIHANHS-PGBBXINNSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7929651
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 7929622
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750244
N-[(1S)-1-(1-adamantyl)ethyl]-4-(4-chloro-2-methylphenoxy)butanamide
CID 40563664
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
CID 108509156

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide (CID 7929641) is N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide is C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide?
The InChIKey is AUEPUFWVIHANHS-PGBBXINNSA-N. The full InChI is InChI=1S/C20H25Cl2NO/c1-12(20-9-13-4-14(10-20)6-15(5-13)11-20)23-19(24)7-16-2-3-17(21)8-18(16)22/h2-3,8,12-15H,4-7,9-11H2,1H3,(H,23,24)/t12-,13?,14?,15?,20?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide has a molecular weight of 366.33 g/mol, XLogP of 5.26, 4 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-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 7929641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).