2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole

C15H12Cl2FN — CID 3885142

IUPAC2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(F)c2c1NC(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H12Cl2FN/c1-8-2-5-13(18)10-7-14(19-15(8)10)9-3-4-11(16)12(17)6-9/h2-6,14,19H,7H2,1H3
InChIKeyNTZMXUHTFQJOOT-UHFFFAOYSA-N
MW296.17 g/mol
LogP5.15
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole

2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3885142) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
PubChem CID3885142
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(F)c2c1NC(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H12Cl2FN/c1-8-2-5-13(18)10-7-14(19-15(8)10)9-3-4-11(16)12(17)6-9/h2-6,14,19H,7H2,1H3
InChIKeyNTZMXUHTFQJOOT-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.17
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3641396
5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
CID 4045651
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 4203065
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3988974
4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3591204
2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 3345458
4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 5042102
2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
CID 5240308
(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4311958

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole (CID 3885142) is 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole is Cc1ccc(F)c2c1NC(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is NTZMXUHTFQJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c1-8-2-5-13(18)10-7-14(19-15(8)10)9-3-4-11(16)12(17)6-9/h2-6,14,19H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 296.17 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3885142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).