N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide

C17H22ClN3O — CID 171731958

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)N3CCCC3)cc2cc1Cl
InChIInChI=1S/C17H22ClN3O/c1-11(2)14-9-16-12(8-15(14)18)7-13(20-16)10-19-17(22)21-5-3-4-6-21/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyGBKYQJWUGJRTCL-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.25
Rot. Bonds3

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 171731958) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID171731958
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)N3CCCC3)cc2cc1Cl
InChIInChI=1S/C17H22ClN3O/c1-11(2)14-9-16-12(8-15(14)18)7-13(20-16)10-19-17(22)21-5-3-4-6-21/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyGBKYQJWUGJRTCL-UHFFFAOYSA-N
XLogP4.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
CID 171519771
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2,2-difluoroethyl)urea
CID 171519675
propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
CID 171518961
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide
CID 171518549
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
CID 171519418
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 171731786
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 171731816
N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
CID 171519243
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
CID 171519130
(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176708435

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 171731958) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)N3CCCC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is GBKYQJWUGJRTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-11(2)14-9-16-12(8-15(14)18)7-13(20-16)10-19-17(22)21-5-3-4-6-21/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,22).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 319.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 171731958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).