2-(1-adamantyl)-N-(2-chlorophenyl)acetamide

C18H22ClNO — CID 4563797

IUPAC2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c19-15-3-1-2-4-16(15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyBYJXYKKUYFQBBS-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.89
Rot. Bonds3

About 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide

2-(1-adamantyl)-N-(2-chlorophenyl)acetamide (PubChem CID 4563797) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
PubChem CID4563797
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c19-15-3-1-2-4-16(15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyBYJXYKKUYFQBBS-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2958595
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
N-[3-[[2-(1-adamantyl)acetyl]amino]-4-chlorophenyl]propanamide
CID 3357853
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
CID 17177126
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
2-[4-(1-adamantyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17349385
2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 3649534
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide
CID 18381572

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide (CID 4563797) is 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl.
What is the InChIKey of 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide?
The InChIKey is BYJXYKKUYFQBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-15-3-1-2-4-16(15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide?
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide has a molecular weight of 303.83 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 4563797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).