(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol

C24H26F2N2O4 — CID 1377310

IUPAC(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESO[C@H](CNc1ccc(F)cc1)COc1ccc(OC[C@H](O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C24H26F2N2O4/c25-17-1-5-19(6-2-17)27-13-21(29)15-31-23-9-11-24(12-10-23)32-16-22(30)14-28-20-7-3-18(26)4-8-20/h1-12,21-22,27-30H,13-16H2/t21-,22-/m1/s1
InChIKeyMUXRNHFHEDCPRX-FGZHOGPDSA-N
MW444.48 g/mol
LogP3.67
Rot. Bonds12

About (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol

(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 1377310) has the molecular formula C24H26F2N2O4 and a molecular weight of 444.48 g/mol. Its IUPAC name is (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID1377310
Molecular FormulaC24H26F2N2O4
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Name(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESO[C@H](CNc1ccc(F)cc1)COc1ccc(OC[C@H](O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C24H26F2N2O4/c25-17-1-5-19(6-2-17)27-13-21(29)15-31-23-9-11-24(12-10-23)32-16-22(30)14-28-20-7-3-18(26)4-8-20/h1-12,21-22,27-30H,13-16H2/t21-,22-/m1/s1
InChIKeyMUXRNHFHEDCPRX-FGZHOGPDSA-N
XLogP3.67
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(3-bromo-4-fluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 104777587
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 1377310) is (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol is O[C@H](CNc1ccc(F)cc1)COc1ccc(OC[C@H](O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is MUXRNHFHEDCPRX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H26F2N2O4/c25-17-1-5-19(6-2-17)27-13-21(29)15-31-23-9-11-24(12-10-23)32-16-22(30)14-28-20-7-3-18(26)4-8-20/h1-12,21-22,27-30H,13-16H2/t21-,22-/m1/s1.
What are the key properties of (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol?
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 444.48 g/mol, XLogP of 3.67, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 1377310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).