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

C14H10BrF2NO2 — CID 83231247

IUPAC4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(COc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C14H10BrF2NO2/c15-11-6-10(3-4-12(11)16)20-7-9-2-1-8(14(18)19)5-13(9)17/h1-6H,7H2,(H2,18,19)
InChIKeyHRHPQLALZKZJGX-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.41
Rot. Bonds4

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

4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide (PubChem CID 83231247) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
PubChem CID83231247
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(COc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C14H10BrF2NO2/c15-11-6-10(3-4-12(11)16)20-7-9-2-1-8(14(18)19)5-13(9)17/h1-6H,7H2,(H2,18,19)
InChIKeyHRHPQLALZKZJGX-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
4-[(3,4-difluorophenoxy)methyl]-3-fluorobenzenecarbothioamide
CID 43554779
3-[(3-bromo-4-fluorophenoxy)methyl]-4-methoxybenzoic acid
CID 83232551
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide (CID 83231247) is 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide is NC(=O)c1ccc(COc2ccc(F)c(Br)c2)c(F)c1.
What is the InChIKey of 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide?
The InChIKey is HRHPQLALZKZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-11-6-10(3-4-12(11)16)20-7-9-2-1-8(14(18)19)5-13(9)17/h1-6H,7H2,(H2,18,19).
What are the key properties of 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide?
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide has a molecular weight of 342.14 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide is sourced from PubChem (CID 83231247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).