5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one

C17H14BrNO2 — CID 63744714

IUPAC5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc4c(c3)COC4)ccc2N1
InChIInChI=1S/C17H14BrNO2/c18-17(10-1-2-12-8-21-9-14(12)6-10)11-3-4-15-13(5-11)7-16(20)19-15/h1-6,17H,7-9H2,(H,19,20)
InChIKeyVXNNSAIVKYKDJU-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.70
Rot. Bonds2

About 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one

5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 63744714) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID63744714
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc4c(c3)COC4)ccc2N1
InChIInChI=1S/C17H14BrNO2/c18-17(10-1-2-12-8-21-9-14(12)6-10)11-3-4-15-13(5-11)7-16(20)19-15/h1-6,17H,7-9H2,(H,19,20)
InChIKeyVXNNSAIVKYKDJU-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[bromo-(4,5-dimethylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 65238601
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 114560636
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
CID 61097734
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one (CID 63744714) is 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3ccc4c(c3)COC4)ccc2N1.
What is the InChIKey of 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is VXNNSAIVKYKDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-17(10-1-2-12-8-21-9-14(12)6-10)11-3-4-15-13(5-11)7-16(20)19-15/h1-6,17H,7-9H2,(H,19,20).
What are the key properties of 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one?
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63744714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).