[4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol

C15H11ClF2N2O — CID 162645919

IUPAC[4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol
SMILESOCc1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
InChIInChI=1S/C15H11ClF2N2O/c16-11-6-8(1-2-12(11)17)19-14-4-3-13(18)15-10(14)5-9(7-21)20-15/h1-6,19-21H,7H2
InChIKeyKVIFIDLEQCQETH-UHFFFAOYSA-N
MW308.72 g/mol
LogP4.34
Rot. Bonds3

About [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol

[4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol (PubChem CID 162645919) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol
PubChem CID162645919
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name[4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol
SMILESOCc1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
InChIInChI=1S/C15H11ClF2N2O/c16-11-6-8(1-2-12(11)17)19-14-4-3-13(18)15-10(14)5-9(7-21)20-15/h1-6,19-21H,7H2
InChIKeyKVIFIDLEQCQETH-UHFFFAOYSA-N
XLogP4.34
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol?
The IUPAC name of [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol (CID 162645919) is [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol.
What is the SMILES notation for [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol?
The canonical SMILES for [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol is OCc1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1.
What is the InChIKey of [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol?
The InChIKey is KVIFIDLEQCQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c16-11-6-8(1-2-12(11)17)19-14-4-3-13(18)15-10(14)5-9(7-21)20-15/h1-6,19-21H,7H2.
What are the key properties of [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol?
[4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol has a molecular weight of 308.72 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indol-2-yl]methanol is sourced from PubChem (CID 162645919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).