(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

C16H11ClFNO2 — CID 83164227

IUPAC(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3c(F)cccc3Cl)c12
InChIInChI=1S/C16H11ClFNO2/c1-21-13-7-3-6-12-14(13)9(8-19-12)16(20)15-10(17)4-2-5-11(15)18/h2-8,19H,1H3
InChIKeyURKRMECNDGTQSU-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.20
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83164227) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83164227
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3c(F)cccc3Cl)c12
InChIInChI=1S/C16H11ClFNO2/c1-21-13-7-3-6-12-14(13)9(8-19-12)16(20)15-10(17)4-2-5-11(15)18/h2-8,19H,1H3
InChIKeyURKRMECNDGTQSU-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

(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(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
(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-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83164227) is (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3c(F)cccc3Cl)c12.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is URKRMECNDGTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-21-13-7-3-6-12-14(13)9(8-19-12)16(20)15-10(17)4-2-5-11(15)18/h2-8,19H,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)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 (2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).