5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile

C17H14ClFN2 — CID 115349269

IUPAC5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile
SMILESCc1cc(F)cc(NC2(C#N)Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C17H14ClFN2/c1-11-4-15(19)7-16(5-11)21-17(10-20)8-12-2-3-14(18)6-13(12)9-17/h2-7,21H,8-9H2,1H3
InChIKeyJREHOBOJQSAMTI-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.26
Rot. Bonds2

About 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile

5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile (PubChem CID 115349269) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile
PubChem CID115349269
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile
SMILESCc1cc(F)cc(NC2(C#N)Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C17H14ClFN2/c1-11-4-15(19)7-16(5-11)21-17(10-20)8-12-2-3-14(18)6-13(12)9-17/h2-7,21H,8-9H2,1H3
InChIKeyJREHOBOJQSAMTI-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile (CID 115349269) is 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile is Cc1cc(F)cc(NC2(C#N)Cc3ccc(Cl)cc3C2)c1.
What is the InChIKey of 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is JREHOBOJQSAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11-4-15(19)7-16(5-11)21-17(10-20)8-12-2-3-14(18)6-13(12)9-17/h2-7,21H,8-9H2,1H3.
What are the key properties of 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile?
5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 300.76 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluoro-5-methylanilino)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 115349269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).