N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide

C19H23Cl2NO2 — CID 3677320

IUPACN-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide
SMILESO=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H23Cl2NO2/c20-16-2-1-15(8-17(16)21)18(23)22-3-4-24-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2,(H,22,23)
InChIKeyAIPQYICVKVIXOV-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.71
Rot. Bonds5

About N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide

N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide (PubChem CID 3677320) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide
PubChem CID3677320
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC NameN-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide
SMILESO=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H23Cl2NO2/c20-16-2-1-15(8-17(16)21)18(23)22-3-4-24-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2,(H,22,23)
InChIKeyAIPQYICVKVIXOV-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3,4-dichlorobenzamide
CID 108537881
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-[2-(1-adamantyloxy)ethyl]-2-methylsulfanylbenzamide
CID 3767855
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
[4-[2-[(3,4-dichlorobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537528
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide (CID 3677320) is N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide is O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide?
The InChIKey is AIPQYICVKVIXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c20-16-2-1-15(8-17(16)21)18(23)22-3-4-24-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2,(H,22,23).
What are the key properties of N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide?
N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide has a molecular weight of 368.30 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)ethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 3677320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).