(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone

C16H15BrN2O2 — CID 115368569

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C16H15BrN2O2/c1-21-15-9-10(17)5-6-12(15)16(20)19-8-7-11-13(18)3-2-4-14(11)19/h2-6,9H,7-8,18H2,1H3
InChIKeyFEZLFJRAYDWOMF-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.24
Rot. Bonds2

About (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone (PubChem CID 115368569) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
PubChem CID115368569
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCc2c(N)cccc21
InChIInChI=1S/C16H15BrN2O2/c1-21-15-9-10(17)5-6-12(15)16(20)19-8-7-11-13(18)3-2-4-14(11)19/h2-6,9H,7-8,18H2,1H3
InChIKeyFEZLFJRAYDWOMF-UHFFFAOYSA-N
XLogP3.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.24
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

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850612
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
CID 107937533
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 80537259
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 82712007
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-fluorophenyl)methanone
CID 82711987

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone (CID 115368569) is (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone is COc1cc(Br)ccc1C(=O)N1CCc2c(N)cccc21.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
The InChIKey is FEZLFJRAYDWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-15-9-10(17)5-6-12(15)16(20)19-8-7-11-13(18)3-2-4-14(11)19/h2-6,9H,7-8,18H2,1H3.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone has a molecular weight of 347.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 115368569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).