1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one

C15H13BrN2O — CID 43349697

IUPAC1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
SMILESNc1cccc(Br)c1CN1C(=O)Cc2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-12-5-3-6-13(17)11(12)9-18-14-7-2-1-4-10(14)8-15(18)19/h1-7H,8-9,17H2
InChIKeyQTNDEYYPSMYQQM-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.12
Rot. Bonds2

About 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one

1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one (PubChem CID 43349697) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
PubChem CID43349697
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
SMILESNc1cccc(Br)c1CN1C(=O)Cc2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-12-5-3-6-13(17)11(12)9-18-14-7-2-1-4-10(14)8-15(18)19/h1-7H,8-9,17H2
InChIKeyQTNDEYYPSMYQQM-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-6-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835073
1-[(2-amino-6-bromophenyl)methyl]-4-methylpiperidine-2,6-dione
CID 79499000
2-[(2-amino-6-bromophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512369
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43349700
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one (CID 43349697) is 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one is Nc1cccc(Br)c1CN1C(=O)Cc2ccccc21.
What is the InChIKey of 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one?
The InChIKey is QTNDEYYPSMYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-12-5-3-6-13(17)11(12)9-18-14-7-2-1-4-10(14)8-15(18)19/h1-7H,8-9,17H2.
What are the key properties of 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one?
1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43349697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).