3-[1-(2-bromo-3-chloroanilino)ethyl]phenol

C14H13BrClNO — CID 103477986

IUPAC3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
SMILESCC(Nc1cccc(Cl)c1Br)c1cccc(O)c1
InChIInChI=1S/C14H13BrClNO/c1-9(10-4-2-5-11(18)8-10)17-13-7-3-6-12(16)14(13)15/h2-9,17-18H,1H3
InChIKeyBOSZICZJPUDJOK-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.98
Rot. Bonds3

About 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol

3-[1-(2-bromo-3-chloroanilino)ethyl]phenol (PubChem CID 103477986) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
PubChem CID103477986
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
SMILESCC(Nc1cccc(Cl)c1Br)c1cccc(O)c1
InChIInChI=1S/C14H13BrClNO/c1-9(10-4-2-5-11(18)8-10)17-13-7-3-6-12(16)14(13)15/h2-9,17-18H,1H3
InChIKeyBOSZICZJPUDJOK-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol?
The IUPAC name of 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol (CID 103477986) is 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol is CC(Nc1cccc(Cl)c1Br)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol?
The InChIKey is BOSZICZJPUDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(10-4-2-5-11(18)8-10)17-13-7-3-6-12(16)14(13)15/h2-9,17-18H,1H3.
What are the key properties of 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol?
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol has a molecular weight of 326.62 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromo-3-chloroanilino)ethyl]phenol is sourced from PubChem (CID 103477986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).