2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide

C24H26ClNO2 — CID 3621040

IUPAC2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H26ClNO2/c25-19-1-5-21(6-2-19)28-22-7-3-20(4-8-22)26-23(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2,(H,26,27)
InChIKeyIJWCWQHKYUJKOD-UHFFFAOYSA-N
MW395.93 g/mol
LogP6.68
Rot. Bonds5

About 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide

2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide (PubChem CID 3621040) has the molecular formula C24H26ClNO2 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
PubChem CID3621040
Molecular FormulaC24H26ClNO2
Molecular Weight395.93 g/mol
Exact Mass395.17
IUPAC Name2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H26ClNO2/c25-19-1-5-21(6-2-19)28-22-7-3-20(4-8-22)26-23(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2,(H,26,27)
InChIKeyIJWCWQHKYUJKOD-UHFFFAOYSA-N
XLogP6.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,4-dichlorobenzamide
CID 4032449
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
CID 7917939
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
N-[3-[[2-(1-adamantyl)acetyl]amino]-4-chlorophenyl]propanamide
CID 3357853
N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide
CID 166367100

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide (CID 3621040) is 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
The InChIKey is IJWCWQHKYUJKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO2/c25-19-1-5-21(6-2-19)28-22-7-3-20(4-8-22)26-23(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2,(H,26,27).
What are the key properties of 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide?
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide has a molecular weight of 395.93 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide is sourced from PubChem (CID 3621040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).