4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole

C22H17ClFN — CID 141436434

IUPAC4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole
SMILESCc1ccc(-c2cc3c(Cc4c(F)cccc4Cl)cccc3[nH]2)cc1
InChIInChI=1S/C22H17ClFN/c1-14-8-10-15(11-9-14)22-13-17-16(4-2-7-21(17)25-22)12-18-19(23)5-3-6-20(18)24/h2-11,13,25H,12H2,1H3
InChIKeyNLXGKQARUNUIRW-UHFFFAOYSA-N
MW349.84 g/mol
LogP6.53
Rot. Bonds3

About 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole

4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole (PubChem CID 141436434) has the molecular formula C22H17ClFN and a molecular weight of 349.84 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole
PubChem CID141436434
Molecular FormulaC22H17ClFN
Molecular Weight349.84 g/mol
Exact Mass349.10
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole
SMILESCc1ccc(-c2cc3c(Cc4c(F)cccc4Cl)cccc3[nH]2)cc1
InChIInChI=1S/C22H17ClFN/c1-14-8-10-15(11-9-14)22-13-17-16(4-2-7-21(17)25-22)12-18-19(23)5-3-6-20(18)24/h2-11,13,25H,12H2,1H3
InChIKeyNLXGKQARUNUIRW-UHFFFAOYSA-N
XLogP6.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.84
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-(chloromethyl)-2-phenyl-1H-indole
CID 151772767
4-(4-chloro-1H-indol-2-yl)aniline
CID 71602483
2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795368
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 19209164
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734
7-fluoro-2-(4-methylphenyl)-1H-indole
CID 131886972
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole (CID 141436434) is 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole is Cc1ccc(-c2cc3c(Cc4c(F)cccc4Cl)cccc3[nH]2)cc1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole?
The InChIKey is NLXGKQARUNUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN/c1-14-8-10-15(11-9-14)22-13-17-16(4-2-7-21(17)25-22)12-18-19(23)5-3-6-20(18)24/h2-11,13,25H,12H2,1H3.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole?
4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole has a molecular weight of 349.84 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl]-2-(4-methylphenyl)-1H-indole is sourced from PubChem (CID 141436434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).