N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide

C20H23ClN2O — CID 154834350

IUPACN-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c2ccccc21
InChIInChI=1S/C20H23ClN2O/c1-23-16-5-3-2-4-15(16)17(21)18(23)19(24)22-20-9-12-6-13(10-20)8-14(7-12)11-20/h2-5,12-14H,6-11H2,1H3,(H,22,24)
InChIKeySNRYMXDXWAYFMO-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.53
Rot. Bonds2

About N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide

N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide (PubChem CID 154834350) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
PubChem CID154834350
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c2ccccc21
InChIInChI=1S/C20H23ClN2O/c1-23-16-5-3-2-4-15(16)17(21)18(23)19(24)22-20-9-12-6-13(10-20)8-14(7-12)11-20/h2-5,12-14H,6-11H2,1H3,(H,22,24)
InChIKeySNRYMXDXWAYFMO-UHFFFAOYSA-N
XLogP4.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide (CID 154834350) is N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide is Cn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c2ccccc21.
What is the InChIKey of N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide?
The InChIKey is SNRYMXDXWAYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-23-16-5-3-2-4-15(16)17(21)18(23)19(24)22-20-9-12-6-13(10-20)8-14(7-12)11-20/h2-5,12-14H,6-11H2,1H3,(H,22,24).
What are the key properties of N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide?
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 154834350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).