5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one

C10H7BrClNO2 — CID 10541398

IUPAC5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CBr)c(Cl)cc2N1
InChIInChI=1S/C10H7BrClNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
InChIKeyNWXKPAPWRGRCLL-UHFFFAOYSA-N
MW288.53 g/mol
LogP2.41
Rot. Bonds2

About 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one

5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 10541398) has the molecular formula C10H7BrClNO2 and a molecular weight of 288.53 g/mol. Its IUPAC name is 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID10541398
Molecular FormulaC10H7BrClNO2
Molecular Weight288.53 g/mol
Exact Mass286.93
IUPAC Name5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CBr)c(Cl)cc2N1
InChIInChI=1S/C10H7BrClNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
InChIKeyNWXKPAPWRGRCLL-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 52.41
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

6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
CID 43457418
6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43457466
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252
5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one
CID 45494990
6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 134065250
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one (CID 10541398) is 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)CBr)c(Cl)cc2N1.
What is the InChIKey of 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is NWXKPAPWRGRCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15).
What are the key properties of 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one?
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 288.53 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10541398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).