5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one

C15H13BrN2O — CID 43197937

IUPAC5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccc2c(c1)CC(=O)N2)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O/c16-12-4-2-1-3-11(12)15(17)9-5-6-13-10(7-9)8-14(19)18-13/h1-7,15H,8,17H2,(H,18,19)
InChIKeyKCBMUGPVQKHNPM-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.99
Rot. Bonds2

About 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one

5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43197937) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43197937
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccc2c(c1)CC(=O)N2)c1ccccc1Br
InChIInChI=1S/C15H13BrN2O/c16-12-4-2-1-3-11(12)15(17)9-5-6-13-10(7-9)8-14(19)18-13/h1-7,15H,8,17H2,(H,18,19)
InChIKeyKCBMUGPVQKHNPM-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215
5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086600
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one (CID 43197937) is 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one is NC(c1ccc2c(c1)CC(=O)N2)c1ccccc1Br.
What is the InChIKey of 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is KCBMUGPVQKHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-12-4-2-1-3-11(12)15(17)9-5-6-13-10(7-9)8-14(19)18-13/h1-7,15H,8,17H2,(H,18,19).
What are the key properties of 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 317.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43197937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).