(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone

C16H12BrFN2O — CID 103298347

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
SMILESCc1cc(N)cc(C(=O)c2c[nH]c3cc(Br)ccc23)c1F
InChIInChI=1S/C16H12BrFN2O/c1-8-4-10(19)6-12(15(8)18)16(21)13-7-20-14-5-9(17)2-3-11(13)14/h2-7,20H,19H2,1H3
InChIKeyRIGOUUOASDPQHY-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.19
Rot. Bonds2

About (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone (PubChem CID 103298347) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
PubChem CID103298347
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
SMILESCc1cc(N)cc(C(=O)c2c[nH]c3cc(Br)ccc23)c1F
InChIInChI=1S/C16H12BrFN2O/c1-8-4-10(19)6-12(15(8)18)16(21)13-7-20-14-5-9(17)2-3-11(13)14/h2-7,20H,19H2,1H3
InChIKeyRIGOUUOASDPQHY-UHFFFAOYSA-N
XLogP4.19
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107874151
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone (CID 103298347) is (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone is Cc1cc(N)cc(C(=O)c2c[nH]c3cc(Br)ccc23)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone?
The InChIKey is RIGOUUOASDPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-8-4-10(19)6-12(15(8)18)16(21)13-7-20-14-5-9(17)2-3-11(13)14/h2-7,20H,19H2,1H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone has a molecular weight of 347.19 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone is sourced from PubChem (CID 103298347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).