(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone

C16H14Br2N2O — CID 114367699

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C16H14Br2N2O/c1-9-6-10-7-12(19)3-5-15(10)20(9)16(21)13-8-11(17)2-4-14(13)18/h2-5,7-9H,6,19H2,1H3
InChIKeyUXTQOCVCACUFRI-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.39
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone (PubChem CID 114367699) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
PubChem CID114367699
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C16H14Br2N2O/c1-9-6-10-7-12(19)3-5-15(10)20(9)16(21)13-8-11(17)2-4-14(13)18/h2-5,7-9H,6,19H2,1H3
InChIKeyUXTQOCVCACUFRI-UHFFFAOYSA-N
XLogP4.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.39
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-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 43550098
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115298349
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674510
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone (CID 114367699) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone is CC1Cc2cc(N)ccc2N1C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone?
The InChIKey is UXTQOCVCACUFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c1-9-6-10-7-12(19)3-5-15(10)20(9)16(21)13-8-11(17)2-4-14(13)18/h2-5,7-9H,6,19H2,1H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone has a molecular weight of 410.11 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone is sourced from PubChem (CID 114367699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).