4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole

C15H12ClF2N — CID 3988974

IUPAC4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(Cl)c2c1NC(c1ccc(F)cc1F)C2
InChIInChI=1S/C15H12ClF2N/c1-8-2-5-12(16)11-7-14(19-15(8)11)10-4-3-9(17)6-13(10)18/h2-6,14,19H,7H2,1H3
InChIKeyADRLCPGYMQJTDG-UHFFFAOYSA-N
MW279.72 g/mol
LogP4.64
Rot. Bonds1

About 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole

4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3988974) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID3988974
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(Cl)c2c1NC(c1ccc(F)cc1F)C2
InChIInChI=1S/C15H12ClF2N/c1-8-2-5-12(16)11-7-14(19-15(8)11)10-4-3-9(17)6-13(10)18/h2-6,14,19H,7H2,1H3
InChIKeyADRLCPGYMQJTDG-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3885142
4-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4034685
2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 4203065
4,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4657954
4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 5042102
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 3247891
(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83868565
2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3641396
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
3-(2,4-difluorophenyl)-2-methylpyrrolidine
CID 62354967
2-(2-chlorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4312167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole (CID 3988974) is 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole is Cc1ccc(Cl)c2c1NC(c1ccc(F)cc1F)C2.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is ADRLCPGYMQJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N/c1-8-2-5-12(16)11-7-14(19-15(8)11)10-4-3-9(17)6-13(10)18/h2-6,14,19H,7H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 279.72 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3988974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).