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

C16H13ClFN — CID 114859479

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H13ClFN/c1-11-8-12-4-2-3-5-16(12)19(11)10-13-6-7-14(17)9-15(13)18/h2-9H,10H2,1H3
InChIKeyIWSGMJFCVHKLAL-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.79
Rot. Bonds2

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

1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole (PubChem CID 114859479) has the molecular formula C16H13ClFN and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
PubChem CID114859479
Molecular FormulaC16H13ClFN
Molecular Weight273.74 g/mol
Exact Mass273.07
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H13ClFN/c1-11-8-12-4-2-3-5-16(12)19(11)10-13-6-7-14(17)9-15(13)18/h2-9H,10H2,1H3
InChIKeyIWSGMJFCVHKLAL-UHFFFAOYSA-N
XLogP4.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindole
CID 63810962
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
1-[(2,3-dichlorophenyl)methyl]-2-methylindole
CID 107310123
4-fluoro-3-[(2-methylindol-1-yl)methyl]benzamide
CID 63810152
1-benzyl-6-chloro-2-methylindole
CID 121404424
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 46478925
6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 114857657
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole
CID 18569336

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole (CID 114859479) is 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole?
The InChIKey is IWSGMJFCVHKLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN/c1-11-8-12-4-2-3-5-16(12)19(11)10-13-6-7-14(17)9-15(13)18/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole?
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole has a molecular weight of 273.74 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole is sourced from PubChem (CID 114859479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).