4-[(4-bromo-3-fluorophenoxy)methyl]benzamide

C14H11BrFNO2 — CID 63999852

IUPAC4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H11BrFNO2/c15-12-6-5-11(7-13(12)16)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyLRKUZQPHVDTEFI-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.27
Rot. Bonds4

About 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide

4-[(4-bromo-3-fluorophenoxy)methyl]benzamide (PubChem CID 63999852) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
PubChem CID63999852
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H11BrFNO2/c15-12-6-5-11(7-13(12)16)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyLRKUZQPHVDTEFI-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
3-[(4-bromo-3-fluorophenoxy)methyl]-4-fluorobenzoic acid
CID 65202713
4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 17424462
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide?
The IUPAC name of 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide (CID 63999852) is 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide is NC(=O)c1ccc(COc2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide?
The InChIKey is LRKUZQPHVDTEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-6-5-11(7-13(12)16)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18).
What are the key properties of 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide?
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 63999852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).