(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone

C16H15BrN2O — CID 65306128

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-12(17)8-14(10)16(20)19-7-6-11-3-5-13(18)9-15(11)19/h2-5,8-9H,6-7,18H2,1H3
InChIKeyVDLCBHWPFYZICW-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.54
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone (PubChem CID 65306128) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
PubChem CID65306128
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-12(17)8-14(10)16(20)19-7-6-11-3-5-13(18)9-15(11)19/h2-5,8-9H,6-7,18H2,1H3
InChIKeyVDLCBHWPFYZICW-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.54
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

(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107674453
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120630754
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone (CID 65306128) is (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone is Cc1ccc(Br)cc1C(=O)N1CCc2ccc(N)cc21.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone?
The InChIKey is VDLCBHWPFYZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-2-4-12(17)8-14(10)16(20)19-7-6-11-3-5-13(18)9-15(11)19/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone has a molecular weight of 331.21 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone is sourced from PubChem (CID 65306128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).