2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol

C13H13BrClNO2 — CID 104653916

IUPAC2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccc(Cl)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H13BrClNO2/c1-13(8-17,11-6-7-12(14)18-11)16-10-4-2-9(15)3-5-10/h2-7,16-17H,8H2,1H3
InChIKeyYRSIJNBEPFUBFW-UHFFFAOYSA-N
MW330.61 g/mol
LogP4.02
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol

2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol (PubChem CID 104653916) has the molecular formula C13H13BrClNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
PubChem CID104653916
Molecular FormulaC13H13BrClNO2
Molecular Weight330.61 g/mol
Exact Mass328.98
IUPAC Name2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccc(Cl)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H13BrClNO2/c1-13(8-17,11-6-7-12(14)18-11)16-10-4-2-9(15)3-5-10/h2-7,16-17H,8H2,1H3
InChIKeyYRSIJNBEPFUBFW-UHFFFAOYSA-N
XLogP4.02
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
CID 113437691
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 104653920
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)propan-1-ol
CID 61048114
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810
2-(4-chloroanilino)-2-propylpentan-1-ol
CID 61049895
methyl 2-(5-bromofuran-2-yl)-2-(4-methylanilino)propanoate
CID 104653371
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol (CID 104653916) is 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol is CC(CO)(Nc1ccc(Cl)cc1)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol?
The InChIKey is YRSIJNBEPFUBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2/c1-13(8-17,11-6-7-12(14)18-11)16-10-4-2-9(15)3-5-10/h2-7,16-17H,8H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol?
2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol has a molecular weight of 330.61 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol is sourced from PubChem (CID 104653916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).