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

C16H16FNO2 — CID 65202032

IUPAC3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
SMILESCc1cc(C)cc(OCc2cc(C(N)=O)ccc2F)c1
InChIInChI=1S/C16H16FNO2/c1-10-5-11(2)7-14(6-10)20-9-13-8-12(16(18)19)3-4-15(13)17/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyZECPWGVCRJBXAT-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.12
Rot. Bonds4

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

3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide (PubChem CID 65202032) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
PubChem CID65202032
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
SMILESCc1cc(C)cc(OCc2cc(C(N)=O)ccc2F)c1
InChIInChI=1S/C16H16FNO2/c1-10-5-11(2)7-14(6-10)20-9-13-8-12(16(18)19)3-4-15(13)17/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyZECPWGVCRJBXAT-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
5-[(5-carbamoyl-2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63851699
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385
3-[(3,5-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 63073644
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
CID 65101965

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide (CID 65202032) is 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide is Cc1cc(C)cc(OCc2cc(C(N)=O)ccc2F)c1.
What is the InChIKey of 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide?
The InChIKey is ZECPWGVCRJBXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-5-11(2)7-14(6-10)20-9-13-8-12(16(18)19)3-4-15(13)17/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide?
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide is sourced from PubChem (CID 65202032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).