(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole

C14H11BrClN — CID 7017020

IUPAC(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
SMILESClc1ccc([C@H]2Cc3cc(Br)ccc3N2)cc1
InChIInChI=1S/C14H11BrClN/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-7,14,17H,8H2/t14-/m1/s1
InChIKeyUIBSLQRNYSDMBA-CQSZACIVSA-N
MW308.61 g/mol
LogP4.81
Rot. Bonds1

About (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole

(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole (PubChem CID 7017020) has the molecular formula C14H11BrClN and a molecular weight of 308.61 g/mol. Its IUPAC name is (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
PubChem CID7017020
Molecular FormulaC14H11BrClN
Molecular Weight308.61 g/mol
Exact Mass306.98
IUPAC Name(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
SMILESClc1ccc([C@H]2Cc3cc(Br)ccc3N2)cc1
InChIInChI=1S/C14H11BrClN/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-7,14,17H,8H2/t14-/m1/s1
InChIKeyUIBSLQRNYSDMBA-CQSZACIVSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[(2S)-5-chloro-2,3-dihydro-1H-indol-2-yl]phenol
CID 129392202
(2R)-2-(4-bromophenyl)-2,3-dihydro-1H-indole
CID 7144522
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
CID 90298097
CID 101024891
CID 101024891
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467782
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810

Frequently Asked Questions

What is the IUPAC name of (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole?
The IUPAC name of (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole (CID 7017020) is (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole is Clc1ccc([C@H]2Cc3cc(Br)ccc3N2)cc1.
What is the InChIKey of (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole?
The InChIKey is UIBSLQRNYSDMBA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11BrClN/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-7,14,17H,8H2/t14-/m1/s1.
What are the key properties of (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole?
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole has a molecular weight of 308.61 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 7017020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).