(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone

C15H10BrCl2NO — CID 47444577

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H10BrCl2NO/c16-11-2-4-14-9(7-11)5-6-19(14)15(20)10-1-3-12(17)13(18)8-10/h1-4,7-8H,5-6H2
InChIKeyJBHWGROZAIILTG-UHFFFAOYSA-N
MW371.06 g/mol
LogP4.96
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone

(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 47444577) has the molecular formula C15H10BrCl2NO and a molecular weight of 371.06 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
PubChem CID47444577
Molecular FormulaC15H10BrCl2NO
Molecular Weight371.06 g/mol
Exact Mass368.93
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H10BrCl2NO/c16-11-2-4-14-9(7-11)5-6-19(14)15(20)10-1-3-12(17)13(18)8-10/h1-4,7-8H,5-6H2
InChIKeyJBHWGROZAIILTG-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.06
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 47444598
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
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
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 51126615
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55915537
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone (CID 47444577) is (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is JBHWGROZAIILTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO/c16-11-2-4-14-9(7-11)5-6-19(14)15(20)10-1-3-12(17)13(18)8-10/h1-4,7-8H,5-6H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone?
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 371.06 g/mol, XLogP of 4.96, 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)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 47444577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).