(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone

C15H10BrFN2O — CID 115352092

IUPAC(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
SMILESNc1ccc(F)cc1C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H10BrFN2O/c16-11-2-1-3-13-14(11)10(7-19-13)15(20)9-6-8(17)4-5-12(9)18/h1-7,19H,18H2
InChIKeyYCUNMLXNJIHJJG-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.88
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone

(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone (PubChem CID 115352092) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
PubChem CID115352092
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
SMILESNc1ccc(F)cc1C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H10BrFN2O/c16-11-2-1-3-13-14(11)10(7-19-13)15(20)9-6-8(17)4-5-12(9)18/h1-7,19H,18H2
InChIKeyYCUNMLXNJIHJJG-UHFFFAOYSA-N
XLogP3.88
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
CID 115351551
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone (CID 115352092) is (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone is Nc1ccc(F)cc1C(=O)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
The InChIKey is YCUNMLXNJIHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-11-2-1-3-13-14(11)10(7-19-13)15(20)9-6-8(17)4-5-12(9)18/h1-7,19H,18H2.
What are the key properties of (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone has a molecular weight of 333.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone is sourced from PubChem (CID 115352092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).