2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide

C19H24ClNO — CID 2741139

IUPAC2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO/c20-17-3-1-2-13(7-17)12-21-18(22)11-19-8-14-4-15(9-19)6-16(5-14)10-19/h1-3,7,14-16H,4-6,8-12H2,(H,21,22)
InChIKeyJSHISYJBUOHWPQ-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.56
Rot. Bonds4

About 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide

2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 2741139) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID2741139
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO/c20-17-3-1-2-13(7-17)12-21-18(22)11-19-8-14-4-15(9-19)6-16(5-14)10-19/h1-3,7,14-16H,4-6,8-12H2,(H,21,22)
InChIKeyJSHISYJBUOHWPQ-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3-chlorobenzamide
CID 108539477
2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 8544214
N-[(3-chlorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430252
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
N-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923902
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,5-dichlorobenzamide
CID 108539745
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458821

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide (CID 2741139) is 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is JSHISYJBUOHWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c20-17-3-1-2-13(7-17)12-21-18(22)11-19-8-14-4-15(9-19)6-16(5-14)10-19/h1-3,7,14-16H,4-6,8-12H2,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide?
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 317.86 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2741139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).