[1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol

C16H14BrClFNO — CID 116532128

IUPAC[1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol
SMILESOCC1(Nc2ccc(Cl)c(Br)c2)CCc2cc(F)ccc21
InChIInChI=1S/C16H14BrClFNO/c17-14-8-12(2-4-15(14)18)20-16(9-21)6-5-10-7-11(19)1-3-13(10)16/h1-4,7-8,20-21H,5-6,9H2
InChIKeyYCJFBGQVBAWGNI-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.49
Rot. Bonds3

About [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol

[1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol (PubChem CID 116532128) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol
PubChem CID116532128
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name[1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol
SMILESOCC1(Nc2ccc(Cl)c(Br)c2)CCc2cc(F)ccc21
InChIInChI=1S/C16H14BrClFNO/c17-14-8-12(2-4-15(14)18)20-16(9-21)6-5-10-7-11(19)1-3-13(10)16/h1-4,7-8,20-21H,5-6,9H2
InChIKeyYCJFBGQVBAWGNI-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol (CID 116532128) is [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol is OCC1(Nc2ccc(Cl)c(Br)c2)CCc2cc(F)ccc21.
What is the InChIKey of [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol?
The InChIKey is YCJFBGQVBAWGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c17-14-8-12(2-4-15(14)18)20-16(9-21)6-5-10-7-11(19)1-3-13(10)16/h1-4,7-8,20-21H,5-6,9H2.
What are the key properties of [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol?
[1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol has a molecular weight of 370.65 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-chloroanilino)-5-fluoro-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 116532128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).