4-[(2-bromo-4-fluorophenoxy)methyl]benzamide

C14H11BrFNO2 — CID 24526653

IUPAC4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrFNO2/c15-12-7-11(16)5-6-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyAVYAFRMKEBWERM-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.27
Rot. Bonds4

About 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide

4-[(2-bromo-4-fluorophenoxy)methyl]benzamide (PubChem CID 24526653) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
PubChem CID24526653
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrFNO2/c15-12-7-11(16)5-6-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyAVYAFRMKEBWERM-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-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
3-bromo-4-[(4-fluorophenyl)methoxy]benzoate
CID 8706894
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351399
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
CID 63999852
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
3-[(2-bromo-4-fluorophenoxy)methyl]benzenecarbothioamide
CID 24694639
[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 4179094

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
The IUPAC name of 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide (CID 24526653) is 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide is NC(=O)c1ccc(COc2ccc(F)cc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
The InChIKey is AVYAFRMKEBWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-7-11(16)5-6-13(12)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-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
4-[(2-bromo-4-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-[(2-bromo-4-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 24526653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).