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

C16H12BrFN2O — CID 107874166

IUPAC(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H12BrFN2O/c1-8-11(4-9(17)5-14(8)19)16(21)13-7-20-15-3-2-10(18)6-12(13)15/h2-7,20H,19H2,1H3
InChIKeyUXRCKKWORFRYJM-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.19
Rot. Bonds2

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

(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 107874166) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID107874166
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H12BrFN2O/c1-8-11(4-9(17)5-14(8)19)16(21)13-7-20-15-3-2-10(18)6-12(13)15/h2-7,20H,19H2,1H3
InChIKeyUXRCKKWORFRYJM-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'}

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Related Compounds

(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107874151
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 107123712
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 63839820
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone (CID 107874166) is (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is UXRCKKWORFRYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-8-11(4-9(17)5-14(8)19)16(21)13-7-20-15-3-2-10(18)6-12(13)15/h2-7,20H,19H2,1H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-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 (3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107874166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).