1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole

C16H15ClFN — CID 22199924

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFN/c1-11-9-12-5-2-3-8-16(12)19(11)10-13-14(17)6-4-7-15(13)18/h2-8,11H,9-10H2,1H3
InChIKeyBWEBHWWWFXXBEO-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.43
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole

1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole (PubChem CID 22199924) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
PubChem CID22199924
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFN/c1-11-9-12-5-2-3-8-16(12)19(11)10-13-14(17)6-4-7-15(13)18/h2-8,11H,9-10H2,1H3
InChIKeyBWEBHWWWFXXBEO-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896316
(2S)-5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 26741923
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93487789
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905554
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 43185472
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole (CID 22199924) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is BWEBHWWWFXXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c1-11-9-12-5-2-3-8-16(12)19(11)10-13-14(17)6-4-7-15(13)18/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 275.75 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 22199924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).