(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone

C15H10Br2FNO — CID 47444598

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H10Br2FNO/c16-11-1-2-14-9(5-11)3-4-19(14)15(20)10-6-12(17)8-13(18)7-10/h1-2,5-8H,3-4H2
InChIKeyCMTBTDJVICZKST-UHFFFAOYSA-N
MW399.06 g/mol
LogP4.55
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone

(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone (PubChem CID 47444598) has the molecular formula C15H10Br2FNO and a molecular weight of 399.06 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
PubChem CID47444598
Molecular FormulaC15H10Br2FNO
Molecular Weight399.06 g/mol
Exact Mass396.91
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H10Br2FNO/c16-11-1-2-14-9(5-11)3-4-19(14)15(20)10-6-12(17)8-13(18)7-10/h1-2,5-8H,3-4H2
InChIKeyCMTBTDJVICZKST-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 43248167
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide
CID 56548407
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 51126615
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112833947
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone (CID 47444598) is (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone is O=C(c1cc(F)cc(Br)c1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The InChIKey is CMTBTDJVICZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FNO/c16-11-1-2-14-9(5-11)3-4-19(14)15(20)10-6-12(17)8-13(18)7-10/h1-2,5-8H,3-4H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone has a molecular weight of 399.06 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 47444598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).