(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone

C16H11ClFNO2 — CID 102882290

IUPAC(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3cccc(Cl)c23)c(F)c1
InChIInChI=1S/C16H11ClFNO2/c1-21-9-5-6-10(13(18)7-9)16(20)11-8-19-14-4-2-3-12(17)15(11)14/h2-8,19H,1H3
InChIKeyYKMFUOMSHYSZKW-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.20
Rot. Bonds3

About (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone

(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102882290) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102882290
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3cccc(Cl)c23)c(F)c1
InChIInChI=1S/C16H11ClFNO2/c1-21-9-5-6-10(13(18)7-9)16(20)11-8-19-14-4-2-3-12(17)15(11)14/h2-8,19H,1H3
InChIKeyYKMFUOMSHYSZKW-UHFFFAOYSA-N
XLogP4.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882309
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882260
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
(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
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102882290) is (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c[nH]c3cccc(Cl)c23)c(F)c1.
What is the InChIKey of (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is YKMFUOMSHYSZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-21-9-5-6-10(13(18)7-9)16(20)11-8-19-14-4-2-3-12(17)15(11)14/h2-8,19H,1H3.
What are the key properties of (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 303.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102882290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).