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

C16H15BrN2O — CID 104850612

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
SMILESCc1cc(Br)cc(C(=O)N2CCc3c(N)cccc32)c1
InChIInChI=1S/C16H15BrN2O/c1-10-7-11(9-12(17)8-10)16(20)19-6-5-13-14(18)3-2-4-15(13)19/h2-4,7-9H,5-6,18H2,1H3
InChIKeyIKDAXHQOUVTFQN-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.54
Rot. Bonds1

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

(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone (PubChem CID 104850612) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
PubChem CID104850612
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
SMILESCc1cc(Br)cc(C(=O)N2CCc3c(N)cccc32)c1
InChIInChI=1S/C16H15BrN2O/c1-10-7-11(9-12(17)8-10)16(20)19-6-5-13-14(18)3-2-4-15(13)19/h2-4,7-9H,5-6,18H2,1H3
InChIKeyIKDAXHQOUVTFQN-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

(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
CID 107937533
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 80537259
(3-bromo-5-methylphenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 104852751
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121179
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107013248
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone (CID 104850612) is (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone is Cc1cc(Br)cc(C(=O)N2CCc3c(N)cccc32)c1.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone?
The InChIKey is IKDAXHQOUVTFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-7-11(9-12(17)8-10)16(20)19-6-5-13-14(18)3-2-4-15(13)19/h2-4,7-9H,5-6,18H2,1H3.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-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 (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 104850612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).