N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide

C17H22BrN3O2 — CID 167928756

IUPACN-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
SMILESCCC1(O)CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1
InChIInChI=1S/C17H22BrN3O2/c1-2-17(23)7-9-21(11-17)16(22)19-8-6-12-10-20-14-5-3-4-13(18)15(12)14/h3-5,10,20,23H,2,6-9,11H2,1H3,(H,19,22)
InChIKeyIOKCIWLFKDPSCX-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide

N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 167928756) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
PubChem CID167928756
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC NameN-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
SMILESCCC1(O)CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1
InChIInChI=1S/C17H22BrN3O2/c1-2-17(23)7-9-21(11-17)16(22)19-8-6-12-10-20-14-5-3-4-13(18)15(12)14/h3-5,10,20,23H,2,6-9,11H2,1H3,(H,19,22)
InChIKeyIOKCIWLFKDPSCX-UHFFFAOYSA-N
XLogP3.03
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5,6-difluoro-1H-indol-3-yl)ethyl]-3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 167901219
N-[2-(4-bromo-1H-indol-3-yl)ethyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 167809158
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167831605
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide (CID 167928756) is N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide is CCC1(O)CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1.
What is the InChIKey of N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is IOKCIWLFKDPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-2-17(23)7-9-21(11-17)16(22)19-8-6-12-10-20-14-5-3-4-13(18)15(12)14/h3-5,10,20,23H,2,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 167928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).