5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide

C14H11BrFNO2 — CID 4795249

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H11BrFNO2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyCTMQJYBYUCFJGN-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide

5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide (PubChem CID 4795249) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide
PubChem CID4795249
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H11BrFNO2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyCTMQJYBYUCFJGN-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide (CID 4795249) is 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide is O=C(NCc1ccc(F)cc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide?
The InChIKey is CTMQJYBYUCFJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide?
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 4795249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).