N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide

C18H21Cl2NO — CID 2829795

IUPACN-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c1-10(22)21-17-15(19)5-14(6-16(17)20)18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,21,22)
InChIKeySUWBQKFAFSHQAW-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.42
Rot. Bonds2

About N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide

N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide (PubChem CID 2829795) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide
PubChem CID2829795
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC NameN-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c1-10(22)21-17-15(19)5-14(6-16(17)20)18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,21,22)
InChIKeySUWBQKFAFSHQAW-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
The IUPAC name of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide (CID 2829795) is N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide is CC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl.
What is the InChIKey of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
The InChIKey is SUWBQKFAFSHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-10(22)21-17-15(19)5-14(6-16(17)20)18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,21,22).
What are the key properties of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide has a molecular weight of 338.28 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide is sourced from PubChem (CID 2829795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).