2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile

C17H12ClFN2 — CID 82268701

IUPAC2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
SMILESCc1cccc2c(C#N)c(Cl)n(Cc3cccc(F)c3)c12
InChIInChI=1S/C17H12ClFN2/c1-11-4-2-7-14-15(9-20)17(18)21(16(11)14)10-12-5-3-6-13(19)8-12/h2-8H,10H2,1H3
InChIKeyKIHGPTWADJTETM-UHFFFAOYSA-N
MW298.75 g/mol
LogP4.66
Rot. Bonds2

About 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile

2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile (PubChem CID 82268701) has the molecular formula C17H12ClFN2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
PubChem CID82268701
Molecular FormulaC17H12ClFN2
Molecular Weight298.75 g/mol
Exact Mass298.07
IUPAC Name2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
SMILESCc1cccc2c(C#N)c(Cl)n(Cc3cccc(F)c3)c12
InChIInChI=1S/C17H12ClFN2/c1-11-4-2-7-14-15(9-20)17(18)21(16(11)14)10-12-5-3-6-13(19)8-12/h2-8H,10H2,1H3
InChIKeyKIHGPTWADJTETM-UHFFFAOYSA-N
XLogP4.66
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652
2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
2-chloro-7-fluoro-1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82269302
2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
CID 143383296
2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
CID 141191031
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
methyl 3-cyano-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate
CID 175897890
5-amino-1-[(3-fluorophenyl)methyl]-3-[(2-methylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764922
5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile?
The IUPAC name of 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile (CID 82268701) is 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile is Cc1cccc2c(C#N)c(Cl)n(Cc3cccc(F)c3)c12.
What is the InChIKey of 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile?
The InChIKey is KIHGPTWADJTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2/c1-11-4-2-7-14-15(9-20)17(18)21(16(11)14)10-12-5-3-6-13(19)8-12/h2-8H,10H2,1H3.
What are the key properties of 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile?
2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile has a molecular weight of 298.75 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile is sourced from PubChem (CID 82268701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).