7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one

C15H9BrClNO2 — CID 13408263

IUPAC7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Cl)cc(C(=O)c3ccc(Br)cc3)c2N1
InChIInChI=1S/C15H9BrClNO2/c16-10-3-1-8(2-4-10)15(20)12-7-11(17)5-9-6-13(19)18-14(9)12/h1-5,7H,6H2,(H,18,19)
InChIKeyLHEVZXHBMTVRMK-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.83
Rot. Bonds2

About 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one

7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 13408263) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one
PubChem CID13408263
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Cl)cc(C(=O)c3ccc(Br)cc3)c2N1
InChIInChI=1S/C15H9BrClNO2/c16-10-3-1-8(2-4-10)15(20)12-7-11(17)5-9-6-13(19)18-14(9)12/h1-5,7H,6H2,(H,18,19)
InChIKeyLHEVZXHBMTVRMK-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4-bromophenyl)-(9H-fluoren-4-yl)methanone
CID 71390046
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid
CID 121231831
4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
CID 13193100
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one (CID 13408263) is 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(Cl)cc(C(=O)c3ccc(Br)cc3)c2N1.
What is the InChIKey of 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is LHEVZXHBMTVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c16-10-3-1-8(2-4-10)15(20)12-7-11(17)5-9-6-13(19)18-14(9)12/h1-5,7H,6H2,(H,18,19).
What are the key properties of 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one?
7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 350.60 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 13408263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).