1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol

C15H14BrClFNO2 — CID 81280813

IUPAC1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(CNc1cc(Cl)ccc1Br)COc1ccccc1F
InChIInChI=1S/C15H14BrClFNO2/c16-12-6-5-10(17)7-14(12)19-8-11(20)9-21-15-4-2-1-3-13(15)18/h1-7,11,19-20H,8-9H2
InChIKeyXJUUZFRTLWTBII-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.09
Rot. Bonds6

About 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol

1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 81280813) has the molecular formula C15H14BrClFNO2 and a molecular weight of 374.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID81280813
Molecular FormulaC15H14BrClFNO2
Molecular Weight374.64 g/mol
Exact Mass372.99
IUPAC Name1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(CNc1cc(Cl)ccc1Br)COc1ccccc1F
InChIInChI=1S/C15H14BrClFNO2/c16-12-6-5-10(17)7-14(12)19-8-11(20)9-21-15-4-2-1-3-13(15)18/h1-7,11,19-20H,8-9H2
InChIKeyXJUUZFRTLWTBII-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol (CID 81280813) is 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol is OC(CNc1cc(Cl)ccc1Br)COc1ccccc1F.
What is the InChIKey of 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is XJUUZFRTLWTBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO2/c16-12-6-5-10(17)7-14(12)19-8-11(20)9-21-15-4-2-1-3-13(15)18/h1-7,11,19-20H,8-9H2.
What are the key properties of 1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol?
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 374.64 g/mol, XLogP of 4.09, 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-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 81280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).