2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile

C17H12ClFN2 — CID 82268508

IUPAC2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
SMILESCc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2/c1-11-2-7-16-14(8-11)15(9-20)17(18)21(16)10-12-3-5-13(19)6-4-12/h2-8H,10H2,1H3
InChIKeyAVVITPFTKGRHSK-UHFFFAOYSA-N
MW298.75 g/mol
LogP4.66
Rot. Bonds2

About 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile

2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile (PubChem CID 82268508) has the molecular formula C17H12ClFN2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
PubChem CID82268508
Molecular FormulaC17H12ClFN2
Molecular Weight298.75 g/mol
Exact Mass298.07
IUPAC Name2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
SMILESCc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2/c1-11-2-7-16-14(8-11)15(9-20)17(18)21(16)10-12-3-5-13(19)6-4-12/h2-8H,10H2,1H3
InChIKeyAVVITPFTKGRHSK-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-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
2-chloro-5-ethyl-1-propylindole-3-carbonitrile
CID 82268545
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
CID 82268701
2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
CID 155579659
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
CID 54679961
5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonitrile
CID 63787754
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methylindol-2-yl]-2,2-dimethylpropanenitrile
CID 170089039
5-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile?
The IUPAC name of 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile (CID 82268508) is 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile.
What is the SMILES notation for 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile?
The canonical SMILES for 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile is Cc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile?
The InChIKey is AVVITPFTKGRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2/c1-11-2-7-16-14(8-11)15(9-20)17(18)21(16)10-12-3-5-13(19)6-4-12/h2-8H,10H2,1H3.
What are the key properties of 2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile?
2-chloro-1-[(4-fluorophenyl)methyl]-5-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-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile is sourced from PubChem (CID 82268508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).