2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile

C17H13BrFN — CID 65407465

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(Cc2ccc(F)cc2Br)Cc2ccccc2C1
InChIInChI=1S/C17H13BrFN/c18-16-7-15(19)6-5-14(16)10-17(11-20)8-12-3-1-2-4-13(12)9-17/h1-7H,8-10H2
InChIKeySBYVROFLIVOFOV-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.44
Rot. Bonds2

About 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 65407465) has the molecular formula C17H13BrFN and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID65407465
Molecular FormulaC17H13BrFN
Molecular Weight330.20 g/mol
Exact Mass329.02
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(Cc2ccc(F)cc2Br)Cc2ccccc2C1
InChIInChI=1S/C17H13BrFN/c18-16-7-15(19)6-5-14(16)10-17(11-20)8-12-3-1-2-4-13(12)9-17/h1-7H,8-10H2
InChIKeySBYVROFLIVOFOV-UHFFFAOYSA-N
XLogP4.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424452
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65415116
3-[(4-bromo-2-fluorophenyl)methyl]-2,4-dihydrochromene-3-carbonitrile
CID 65408219
2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 82935570
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114861522
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612
2-[(2-bromo-4-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65392740
1-[(2,4-difluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65376601
2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 166378194
2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 65408228
2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 104812928
2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
CID 79131493

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 65407465) is 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile is N#CC1(Cc2ccc(F)cc2Br)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is SBYVROFLIVOFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN/c18-16-7-15(19)6-5-14(16)10-17(11-20)8-12-3-1-2-4-13(12)9-17/h1-7H,8-10H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 330.20 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 65407465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).