3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide

C14H10BrF2NO2 — CID 24704635

IUPAC3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H10BrF2NO2/c15-11-6-10(16)2-4-13(11)20-7-9-5-8(14(18)19)1-3-12(9)17/h1-6H,7H2,(H2,18,19)
InChIKeyAXSUTROFMPCVBK-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.41
Rot. Bonds4

About 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide

3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide (PubChem CID 24704635) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
PubChem CID24704635
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H10BrF2NO2/c15-11-6-10(16)2-4-13(11)20-7-9-5-8(14(18)19)1-3-12(9)17/h1-6H,7H2,(H2,18,19)
InChIKeyAXSUTROFMPCVBK-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-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
CID 65101965
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
3-bromo-4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616213
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-4-fluorobenzoic acid
CID 107654987

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide (CID 24704635) is 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(COc2ccc(F)cc2Br)c1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide?
The InChIKey is AXSUTROFMPCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-11-6-10(16)2-4-13(11)20-7-9-5-8(14(18)19)1-3-12(9)17/h1-6H,7H2,(H2,18,19).
What are the key properties of 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide?
3-[(2-bromo-4-fluorophenoxy)methyl]-4-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 3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide is sourced from PubChem (CID 24704635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).