2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol

C15H14BrClFNO — CID 62913164

IUPAC2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccc(Cl)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-15(9-20,10-2-7-14(18)13(16)8-10)19-12-5-3-11(17)4-6-12/h2-8,19-20H,9H2,1H3
InChIKeyGOHSAIRLLRXWSJ-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol

2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol (PubChem CID 62913164) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
PubChem CID62913164
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccc(Cl)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-15(9-20,10-2-7-14(18)13(16)8-10)19-12-5-3-11(17)4-6-12/h2-8,19-20H,9H2,1H3
InChIKeyGOHSAIRLLRXWSJ-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
2-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)propan-1-ol
CID 61048114
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
CID 104653916
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
2-(4-bromoanilino)-2-(3-methoxyphenyl)propan-1-ol
CID 61049856
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol (CID 62913164) is 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol is CC(CO)(Nc1ccc(Cl)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol?
The InChIKey is GOHSAIRLLRXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-15(9-20,10-2-7-14(18)13(16)8-10)19-12-5-3-11(17)4-6-12/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol?
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol has a molecular weight of 358.64 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol is sourced from PubChem (CID 62913164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).