1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol

C15H14Cl2FNO2 — CID 60899861

IUPAC1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)COc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2FNO2/c16-10-2-1-3-13(6-10)21-9-12(20)8-19-15-5-4-11(18)7-14(15)17/h1-7,12,19-20H,8-9H2
InChIKeyFXDPFCADOYIBOO-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.98
Rot. Bonds6

About 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol

1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol (PubChem CID 60899861) has the molecular formula C15H14Cl2FNO2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
PubChem CID60899861
Molecular FormulaC15H14Cl2FNO2
Molecular Weight330.19 g/mol
Exact Mass329.04
IUPAC Name1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)COc1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2FNO2/c16-10-2-1-3-13(6-10)21-9-12(20)8-19-15-5-4-11(18)7-14(15)17/h1-7,12,19-20H,8-9H2
InChIKeyFXDPFCADOYIBOO-UHFFFAOYSA-N
XLogP3.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
1-(2-bromo-4-chloroanilino)-3-(3-bromophenoxy)propan-2-ol
CID 81268684
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol (CID 60899861) is 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol is OC(CNc1ccc(F)cc1Cl)COc1cccc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol?
The InChIKey is FXDPFCADOYIBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2/c16-10-2-1-3-13(6-10)21-9-12(20)8-19-15-5-4-11(18)7-14(15)17/h1-7,12,19-20H,8-9H2.
What are the key properties of 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol?
1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol has a molecular weight of 330.19 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 60899861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).