4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide

C16H15BrFNO2 — CID 107723748

IUPAC4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
SMILESCc1cc(OCc2ccc(C(N)=O)cc2F)cc(C)c1Br
InChIInChI=1S/C16H15BrFNO2/c1-9-5-13(6-10(2)15(9)17)21-8-12-4-3-11(16(19)20)7-14(12)18/h3-7H,8H2,1-2H3,(H2,19,20)
InChIKeyAYYLMQHAMCHSNC-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.88
Rot. Bonds4

About 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide

4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide (PubChem CID 107723748) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
PubChem CID107723748
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
SMILESCc1cc(OCc2ccc(C(N)=O)cc2F)cc(C)c1Br
InChIInChI=1S/C16H15BrFNO2/c1-9-5-13(6-10(2)15(9)17)21-8-12-4-3-11(16(19)20)7-14(12)18/h3-7H,8H2,1-2H3,(H2,19,20)
InChIKeyAYYLMQHAMCHSNC-UHFFFAOYSA-N
XLogP3.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluoroaniline
CID 107722724

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide (CID 107723748) is 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide is Cc1cc(OCc2ccc(C(N)=O)cc2F)cc(C)c1Br.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide?
The InChIKey is AYYLMQHAMCHSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-9-5-13(6-10(2)15(9)17)21-8-12-4-3-11(16(19)20)7-14(12)18/h3-7H,8H2,1-2H3,(H2,19,20).
What are the key properties of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide?
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide has a molecular weight of 352.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide is sourced from PubChem (CID 107723748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).