1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol

C15H14Br2FNO2 — CID 107635766

IUPAC1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
SMILESOC(CNc1cc(F)ccc1Br)COc1ccc(Br)cc1
InChIInChI=1S/C15H14Br2FNO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-7-11(18)3-6-14(15)17/h1-7,12,19-20H,8-9H2
InChIKeyUJILKYVHUYNZFO-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.20
Rot. Bonds6

About 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol

1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol (PubChem CID 107635766) has the molecular formula C15H14Br2FNO2 and a molecular weight of 419.09 g/mol. Its IUPAC name is 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
PubChem CID107635766
Molecular FormulaC15H14Br2FNO2
Molecular Weight419.09 g/mol
Exact Mass416.94
IUPAC Name1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
SMILESOC(CNc1cc(F)ccc1Br)COc1ccc(Br)cc1
InChIInChI=1S/C15H14Br2FNO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-7-11(18)3-6-14(15)17/h1-7,12,19-20H,8-9H2
InChIKeyUJILKYVHUYNZFO-UHFFFAOYSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
CID 60898264
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1-(3-bromo-2-methylanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 107633833
1-(3-bromo-4-fluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 104777587
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol (CID 107635766) is 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol is OC(CNc1cc(F)ccc1Br)COc1ccc(Br)cc1.
What is the InChIKey of 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol?
The InChIKey is UJILKYVHUYNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-7-11(18)3-6-14(15)17/h1-7,12,19-20H,8-9H2.
What are the key properties of 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol?
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol has a molecular weight of 419.09 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol is sourced from PubChem (CID 107635766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).