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

C16H13FN2O2 — CID 83166276

IUPAC(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(F)ccc3N)c12
InChIInChI=1S/C16H13FN2O2/c1-21-14-4-2-3-13-15(14)11(8-19-13)16(20)10-7-9(17)5-6-12(10)18/h2-8,19H,18H2,1H3
InChIKeyWIMBGIQCARPJIE-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.13
Rot. Bonds3

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

(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83166276) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83166276
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(F)ccc3N)c12
InChIInChI=1S/C16H13FN2O2/c1-21-14-4-2-3-13-15(14)11(8-19-13)16(20)10-7-9(17)5-6-12(10)18/h2-8,19H,18H2,1H3
InChIKeyWIMBGIQCARPJIE-UHFFFAOYSA-N
XLogP3.13
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-1H-indol-3-yl)methanone
CID 115352092
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83166276) is (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cc(F)ccc3N)c12.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is WIMBGIQCARPJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-14-4-2-3-13-15(14)11(8-19-13)16(20)10-7-9(17)5-6-12(10)18/h2-8,19H,18H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 284.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83166276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).