N-(1-adamantyl)-2-chloro-4-methylbenzamide

C18H22ClNO — CID 2906667

IUPACN-(1-adamantyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-11-2-3-15(16(19)4-11)17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21)
InChIKeyXXNPYQPGAIUJPU-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.35
Rot. Bonds2

About N-(1-adamantyl)-2-chloro-4-methylbenzamide

N-(1-adamantyl)-2-chloro-4-methylbenzamide (PubChem CID 2906667) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-(1-adamantyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-chloro-4-methylbenzamide
PubChem CID2906667
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-(1-adamantyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-11-2-3-15(16(19)4-11)17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21)
InChIKeyXXNPYQPGAIUJPU-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
N-(1-adamantyl)-4-bromo-3-chlorobenzamide
CID 81295141
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
CID 17102619
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(1-adamantyl)-2-chloro-4-methylbenzamide (CID 2906667) is N-(1-adamantyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(1-adamantyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1.
What is the InChIKey of N-(1-adamantyl)-2-chloro-4-methylbenzamide?
The InChIKey is XXNPYQPGAIUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-11-2-3-15(16(19)4-11)17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantyl)-2-chloro-4-methylbenzamide?
N-(1-adamantyl)-2-chloro-4-methylbenzamide has a molecular weight of 303.83 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 2906667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).