(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone

C17H15BrN2O — CID 116547115

IUPAC(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cc(N)ccc3Br)cn(C)c2c1
InChIInChI=1S/C17H15BrN2O/c1-10-3-5-12-14(9-20(2)16(12)7-10)17(21)13-8-11(19)4-6-15(13)18/h3-9H,19H2,1-2H3
InChIKeyLTXUCURZDRYYQQ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.06
Rot. Bonds2

About (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone

(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116547115) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116547115
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cc(N)ccc3Br)cn(C)c2c1
InChIInChI=1S/C17H15BrN2O/c1-10-3-5-12-14(9-20(2)16(12)7-10)17(21)13-8-11(19)4-6-15(13)18/h3-9H,19H2,1-2H3
InChIKeyLTXUCURZDRYYQQ-UHFFFAOYSA-N
XLogP4.06
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547071
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(1,6-dimethylindol-3-yl)-(2-methylfuran-3-yl)methanone
CID 116546982
(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
CID 116546989
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116547115) is (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3cc(N)ccc3Br)cn(C)c2c1.
What is the InChIKey of (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is LTXUCURZDRYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-3-5-12-14(9-20(2)16(12)7-10)17(21)13-8-11(19)4-6-15(13)18/h3-9H,19H2,1-2H3.
What are the key properties of (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone?
(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone has a molecular weight of 343.22 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116547115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).