(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

C16H11F2NO2 — CID 83164240

IUPAC(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(F)cc(F)c3)c12
InChIInChI=1S/C16H11F2NO2/c1-21-14-4-2-3-13-15(14)12(8-19-13)16(20)9-5-10(17)7-11(18)6-9/h2-8,19H,1H3
InChIKeyDIAOIXHYYBLABI-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.69
Rot. Bonds3

About (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83164240) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83164240
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(F)cc(F)c3)c12
InChIInChI=1S/C16H11F2NO2/c1-21-14-4-2-3-13-15(14)12(8-19-13)16(20)9-5-10(17)7-11(18)6-9/h2-8,19H,1H3
InChIKeyDIAOIXHYYBLABI-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
(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-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83164240) is (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cc(F)cc(F)c3)c12.
What is the InChIKey of (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is DIAOIXHYYBLABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-21-14-4-2-3-13-15(14)12(8-19-13)16(20)9-5-10(17)7-11(18)6-9/h2-8,19H,1H3.
What are the key properties of (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 287.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).