3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide

C14H11BrFNO2 — CID 103710628

IUPAC3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrFNO2/c15-12-7-10(3-6-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyKVKYKXYAXKFWIN-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide

3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 103710628) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID103710628
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrFNO2/c15-12-7-10(3-6-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyKVKYKXYAXKFWIN-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 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (CID 103710628) is 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccc(O)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is KVKYKXYAXKFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-7-10(3-6-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide 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 3-bromo-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 103710628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).