(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone

C19H17BrN2O — CID 113087743

IUPAC(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H17BrN2O/c20-17-7-3-1-6-15(17)19(23)22-10-9-13(12-22)16-11-21-18-8-4-2-5-14(16)18/h1-8,11,13,21H,9-10,12H2
InChIKeyJOUDTENSDPGJTB-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.56
Rot. Bonds2

About (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone

(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 113087743) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID113087743
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H17BrN2O/c20-17-7-3-1-6-15(17)19(23)22-10-9-13(12-22)16-11-21-18-8-4-2-5-14(16)18/h1-8,11,13,21H,9-10,12H2
InChIKeyJOUDTENSDPGJTB-UHFFFAOYSA-N
XLogP4.56
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 129394382

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone (CID 113087743) is (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1Br)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JOUDTENSDPGJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-17-7-3-1-6-15(17)19(23)22-10-9-13(12-22)16-11-21-18-8-4-2-5-14(16)18/h1-8,11,13,21H,9-10,12H2.
What are the key properties of (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone?
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 369.26 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113087743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).