N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H12ClF2N — CID 107527044

IUPACN-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Cl)c(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C15H12ClF2N/c16-12-6-4-9(17)8-15(12)19-14-7-5-10-11(14)2-1-3-13(10)18/h1-4,6,8,14,19H,5,7H2
InChIKeyXYBZFHGBQSQHPC-UHFFFAOYSA-N
MW279.72 g/mol
LogP4.72
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 107527044) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID107527044
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC NameN-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Cl)c(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C15H12ClF2N/c16-12-6-4-9(17)8-15(12)19-14-7-5-10-11(14)2-1-3-13(10)18/h1-4,6,8,14,19H,5,7H2
InChIKeyXYBZFHGBQSQHPC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065284
N-(4-chlorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067484
4-fluoro-N-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83067325
2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 83066640
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107610126
N-(2-bromophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067708
4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065951
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107633285
N-(5-bromo-4-fluoro-2-methylphenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107591170

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 107527044) is N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc(Cl)c(NC2CCc3c(F)cccc32)c1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XYBZFHGBQSQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N/c16-12-6-4-9(17)8-15(12)19-14-7-5-10-11(14)2-1-3-13(10)18/h1-4,6,8,14,19H,5,7H2.
What are the key properties of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 279.72 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107527044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).