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

C15H14BrClFNO — CID 82972810

IUPAC2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1cccc(Cl)c1)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFNO/c1-15(9-20,13-7-10(16)5-6-14(13)18)19-12-4-2-3-11(17)8-12/h2-8,19-20H,9H2,1H3
InChIKeyNLORYXBARDBDBM-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

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

2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol (PubChem CID 82972810) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
PubChem CID82972810
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1cccc(Cl)c1)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFNO/c1-15(9-20,13-7-10(16)5-6-14(13)18)19-12-4-2-3-11(17)8-12/h2-8,19-20H,9H2,1H3
InChIKeyNLORYXBARDBDBM-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-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61047742
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(4-bromo-2-chlorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 82779756
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)propanenitrile
CID 82964693
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol (CID 82972810) is 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol is CC(CO)(Nc1cccc(Cl)c1)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol?
The InChIKey is NLORYXBARDBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-15(9-20,13-7-10(16)5-6-14(13)18)19-12-4-2-3-11(17)8-12/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol?
2-(5-bromo-2-fluorophenyl)-2-(3-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-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol is sourced from PubChem (CID 82972810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).