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

C16H12BrFN2O — CID 107874151

IUPAC(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12BrFN2O/c1-8-12(4-9(17)5-14(8)19)16(21)13-7-20-15-6-10(18)2-3-11(13)15/h2-7,20H,19H2,1H3
InChIKeyQQLKOLQDTJPLBM-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.19
Rot. Bonds2

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

(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 107874151) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID107874151
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12BrFN2O/c1-8-12(4-9(17)5-14(8)19)16(21)13-7-20-15-6-10(18)2-3-11(13)15/h2-7,20H,19H2,1H3
InChIKeyQQLKOLQDTJPLBM-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)-(5-fluoro-1H-indol-3-yl)methanone
CID 107874166
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (CID 107874151) is (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is QQLKOLQDTJPLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-8-12(4-9(17)5-14(8)19)16(21)13-7-20-15-6-10(18)2-3-11(13)15/h2-7,20H,19H2,1H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(6-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)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107874151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).