N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide

C15H15ClN2O — CID 166475998

IUPACN-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC23CC(C2)C3)[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H15ClN2O/c1-8-10-3-2-4-11(16)13(10)17-12(8)14(19)18-15-5-9(6-15)7-15/h2-4,9,17H,5-7H2,1H3,(H,18,19)
InChIKeyRHQPUZCZJJPDDD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.41
Rot. Bonds2

About N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide

N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide (PubChem CID 166475998) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide
PubChem CID166475998
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC23CC(C2)C3)[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H15ClN2O/c1-8-10-3-2-4-11(16)13(10)17-12(8)14(19)18-15-5-9(6-15)7-15/h2-4,9,17H,5-7H2,1H3,(H,18,19)
InChIKeyRHQPUZCZJJPDDD-UHFFFAOYSA-N
XLogP3.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(1-bicyclo[1.1.1]pentanyl)-2-chloro-6-iodobenzamide
CID 172646915
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
CID 17102619
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
7-chloro-3-ethyl-1H-indole-2-carboxylic acid
CID 84624480
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
4-(1-bicyclo[1.1.1]pentanylcarbamoyl)benzoic acid
CID 178070536
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350
N-(1-adamantyl)-3-(2-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023391
8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016607
N-(1-bicyclo[1.1.1]pentanyl)-3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731373
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide (CID 166475998) is N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NC23CC(C2)C3)[nH]c2c(Cl)cccc12.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is RHQPUZCZJJPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-8-10-3-2-4-11(16)13(10)17-12(8)14(19)18-15-5-9(6-15)7-15/h2-4,9,17H,5-7H2,1H3,(H,18,19).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-7-chloro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166475998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).