1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol

C15H12BrF2NO — CID 107682773

IUPAC1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C15H12BrF2NO/c16-11-6-13(18)15(7-12(11)17)19-14-4-1-8-5-9(20)2-3-10(8)14/h2-3,5-7,14,19-20H,1,4H2
InChIKeyIHGYHAVLMOGCQK-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.53
Rot. Bonds2

About 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682773) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682773
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C15H12BrF2NO/c16-11-6-13(18)15(7-12(11)17)19-14-4-1-8-5-9(20)2-3-10(8)14/h2-3,5-7,14,19-20H,1,4H2
InChIKeyIHGYHAVLMOGCQK-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682735
1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682645
4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107682000
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682773) is 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is IHGYHAVLMOGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-11-6-13(18)15(7-12(11)17)19-14-4-1-8-5-9(20)2-3-10(8)14/h2-3,5-7,14,19-20H,1,4H2.
What are the key properties of 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 340.17 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).