5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile

C16H11BrClN — CID 174509333

IUPAC5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)CCc2cc(Br)ccc21
InChIInChI=1S/C16H11BrClN/c17-13-3-6-15-11(9-13)7-8-16(15,10-19)12-1-4-14(18)5-2-12/h1-6,9H,7-8H2
InChIKeyQTLOERXIZDBQRM-UHFFFAOYSA-N
MW332.63 g/mol
LogP4.86
Rot. Bonds1

About 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile

5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 174509333) has the molecular formula C16H11BrClN and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID174509333
Molecular FormulaC16H11BrClN
Molecular Weight332.63 g/mol
Exact Mass330.98
IUPAC Name5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)CCc2cc(Br)ccc21
InChIInChI=1S/C16H11BrClN/c17-13-3-6-15-11(9-13)7-8-16(15,10-19)12-1-4-14(18)5-2-12/h1-6,9H,7-8H2
InChIKeyQTLOERXIZDBQRM-UHFFFAOYSA-N
XLogP4.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
(5-bromo-1-cyano-2,3-dihydroinden-1-yl)oxy thiohypoiodite
CID 146633603
5-bromo-1-isocyanato-2,3-dihydroindene-1-carbonitrile
CID 82884243
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
6-bromo-2-(2-chloroanilino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632225
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793
6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene
CID 167038414
1-[[5-bromo-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 135281517
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
CID 118326661
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile (CID 174509333) is 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile is N#CC1(c2ccc(Cl)cc2)CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is QTLOERXIZDBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN/c17-13-3-6-15-11(9-13)7-8-16(15,10-19)12-1-4-14(18)5-2-12/h1-6,9H,7-8H2.
What are the key properties of 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile?
5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 332.63 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-chlorophenyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 174509333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).