(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone

C17H17BrN2O — CID 83210257

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1ccc(Br)cc1C)CC2
InChIInChI=1S/C17H17BrN2O/c1-10-8-13(18)3-4-14(10)17(21)20-6-5-12-7-11(2)15(19)9-16(12)20/h3-4,7-9H,5-6,19H2,1-2H3
InChIKeyDNFBTLCTUGLKKA-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.85
Rot. Bonds1

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone (PubChem CID 83210257) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
PubChem CID83210257
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1ccc(Br)cc1C)CC2
InChIInChI=1S/C17H17BrN2O/c1-10-8-13(18)3-4-14(10)17(21)20-6-5-12-7-11(2)15(19)9-16(12)20/h3-4,7-9H,5-6,19H2,1-2H3
InChIKeyDNFBTLCTUGLKKA-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.85
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

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-methylphenyl)methanone
CID 83209869
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
CID 83209308
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 83210068
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107948882
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
CID 83213262
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone (CID 83210257) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone is Cc1cc2c(cc1N)N(C(=O)c1ccc(Br)cc1C)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone?
The InChIKey is DNFBTLCTUGLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-10-8-13(18)3-4-14(10)17(21)20-6-5-12-7-11(2)15(19)9-16(12)20/h3-4,7-9H,5-6,19H2,1-2H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone has a molecular weight of 345.24 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone is sourced from PubChem (CID 83210257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).