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

C17H15ClN2 — CID 115349216

IUPAC5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile
SMILESCc1ccccc1NC1(C#N)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H15ClN2/c1-12-4-2-3-5-16(12)20-17(11-19)9-13-6-7-15(18)8-14(13)10-17/h2-8,20H,9-10H2,1H3
InChIKeyNFNKPHFRYURXPZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.12
Rot. Bonds2

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

5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile (PubChem CID 115349216) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile
PubChem CID115349216
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile
SMILESCc1ccccc1NC1(C#N)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H15ClN2/c1-12-4-2-3-5-16(12)20-17(11-19)9-13-6-7-15(18)8-14(13)10-17/h2-8,20H,9-10H2,1H3
InChIKeyNFNKPHFRYURXPZ-UHFFFAOYSA-N
XLogP4.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile (CID 115349216) is 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile is Cc1ccccc1NC1(C#N)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is NFNKPHFRYURXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-4-2-3-5-16(12)20-17(11-19)9-13-6-7-15(18)8-14(13)10-17/h2-8,20H,9-10H2,1H3.
What are the key properties of 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile?
5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 282.77 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylanilino)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 115349216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).