2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

C16H13ClN2 — CID 55194409

IUPAC2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N1c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H13ClN2/c1-11-8-12-4-2-3-5-16(12)19(11)14-7-6-13(10-18)15(17)9-14/h2-7,9,11H,8H2,1H3
InChIKeyFOCYFBBSYMOAOG-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.29
Rot. Bonds1

About 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 55194409) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID55194409
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N1c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H13ClN2/c1-11-8-12-4-2-3-5-16(12)19(11)14-7-6-13(10-18)15(17)9-14/h2-7,9,11H,8H2,1H3
InChIKeyFOCYFBBSYMOAOG-UHFFFAOYSA-N
XLogP4.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194408
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 102815035
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
CID 63540213
2-chloro-4-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)benzonitrile
CID 71876706
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 55482360
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81203842
2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 115367528
2-chloro-4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzonitrile
CID 63101593
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (CID 55194409) is 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is CC1Cc2ccccc2N1c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is FOCYFBBSYMOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-11-8-12-4-2-3-5-16(12)19(11)14-7-6-13(10-18)15(17)9-14/h2-7,9,11H,8H2,1H3.
What are the key properties of 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 268.75 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 55194409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).