5-bromo-3-phenyl-2,3-dihydro-1H-indole

C14H12BrN — CID 177342618

IUPAC5-bromo-3-phenyl-2,3-dihydro-1H-indole
SMILESBrc1ccc2c(c1)C(c1ccccc1)CN2
InChIInChI=1S/C14H12BrN/c15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10/h1-8,13,16H,9H2
InChIKeyZPDIVDGJNRVJES-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.01
Rot. Bonds1

About 5-bromo-3-phenyl-2,3-dihydro-1H-indole

5-bromo-3-phenyl-2,3-dihydro-1H-indole (PubChem CID 177342618) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-3-phenyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-3-phenyl-2,3-dihydro-1H-indole
PubChem CID177342618
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name5-bromo-3-phenyl-2,3-dihydro-1H-indole
SMILESBrc1ccc2c(c1)C(c1ccccc1)CN2
InChIInChI=1S/C14H12BrN/c15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10/h1-8,13,16H,9H2
InChIKeyZPDIVDGJNRVJES-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-6-bromo-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 102600264
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
(5-bromo-2,3-dihydro-1H-indol-3-yl)methanol
CID 71068546
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
1-(5-bromo-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 83866994
(3aS,4R,9bS)-8-bromo-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11858814
1-(7-bromo-5-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)propan-1-one
CID 67354176
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-phenyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-bromo-3-phenyl-2,3-dihydro-1H-indole (CID 177342618) is 5-bromo-3-phenyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-3-phenyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-bromo-3-phenyl-2,3-dihydro-1H-indole is Brc1ccc2c(c1)C(c1ccccc1)CN2.
What is the InChIKey of 5-bromo-3-phenyl-2,3-dihydro-1H-indole?
The InChIKey is ZPDIVDGJNRVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN/c15-11-6-7-14-12(8-11)13(9-16-14)10-4-2-1-3-5-10/h1-8,13,16H,9H2.
What are the key properties of 5-bromo-3-phenyl-2,3-dihydro-1H-indole?
5-bromo-3-phenyl-2,3-dihydro-1H-indole has a molecular weight of 274.16 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-phenyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 177342618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).