5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide

C14H17ClN2O2 — CID 111542931

IUPAC5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,19)8-17(3)13(18)12-7-9-6-10(15)4-5-11(9)16-12/h4-7,16,19H,8H2,1-3H3
InChIKeyGSMXGCUYBYDITM-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.66
Rot. Bonds3

About 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide

5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 111542931) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
PubChem CID111542931
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,19)8-17(3)13(18)12-7-9-6-10(15)4-5-11(9)16-12/h4-7,16,19H,8H2,1-3H3
InChIKeyGSMXGCUYBYDITM-UHFFFAOYSA-N
XLogP2.66
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
CID 55559287
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
CID 111596618
5-chloro-1H-indole-2-carboxylate
CID 6933350
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 51362206
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 79383796
5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 134002449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide (CID 111542931) is 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide is CN(CC(C)(C)O)C(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is GSMXGCUYBYDITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(2,19)8-17(3)13(18)12-7-9-6-10(15)4-5-11(9)16-12/h4-7,16,19H,8H2,1-3H3.
What are the key properties of 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide?
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 111542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).