4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide

C15H13BrFNO2 — CID 103830357

IUPAC4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H13BrFNO2/c16-13-6-3-11(9-14(13)19)15(20)18-8-7-10-1-4-12(17)5-2-10/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyAILNZFXLSSRPFX-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.27
Rot. Bonds4

About 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide

4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide (PubChem CID 103830357) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
PubChem CID103830357
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H13BrFNO2/c16-13-6-3-11(9-14(13)19)15(20)18-8-7-10-1-4-12(17)5-2-10/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyAILNZFXLSSRPFX-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 53362040
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide (CID 103830357) is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide is O=C(NCCc1ccc(F)cc1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide?
The InChIKey is AILNZFXLSSRPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-13-6-3-11(9-14(13)19)15(20)18-8-7-10-1-4-12(17)5-2-10/h1-6,9,19H,7-8H2,(H,18,20).
What are the key properties of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide?
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 103830357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).