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

C15H12Cl2FN — CID 107363987

IUPAC5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)cc(NC2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H12Cl2FN/c16-10-2-3-14-9(5-10)1-4-15(14)19-13-7-11(17)6-12(18)8-13/h2-3,5-8,15,19H,1,4H2
InChIKeyVNLAQKVUFSMXTM-UHFFFAOYSA-N
MW296.17 g/mol
LogP5.23
Rot. Bonds2

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

5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 107363987) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID107363987
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)cc(NC2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H12Cl2FN/c16-10-2-3-14-9(5-10)1-4-15(14)19-13-7-11(17)6-12(18)8-13/h2-3,5-8,15,19H,1,4H2
InChIKeyVNLAQKVUFSMXTM-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.17
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371686
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
2-chloro-N-(3-chloro-5-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107363949
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
5-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 81301651
N-[1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687923
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 107363987) is 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine is Fc1cc(Cl)cc(NC2CCc3cc(Cl)ccc32)c1.
What is the InChIKey of 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VNLAQKVUFSMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c16-10-2-3-14-9(5-10)1-4-15(14)19-13-7-11(17)6-12(18)8-13/h2-3,5-8,15,19H,1,4H2.
What are the key properties of 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 296.17 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107363987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).