3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide

C17H18FNO2 — CID 32604559

IUPAC3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-12-7-8-13(9-16(12)18)17(20)19-10-14-5-3-4-6-15(14)11-21-2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyFWNNWKCMMUBSSY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.21
Rot. Bonds5

About 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide

3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 32604559) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
PubChem CID32604559
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-12-7-8-13(9-16(12)18)17(20)19-10-14-5-3-4-6-15(14)11-21-2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyFWNNWKCMMUBSSY-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752307
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111360816
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide (CID 32604559) is 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide is COCc1ccccc1CNC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is FWNNWKCMMUBSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-7-8-13(9-16(12)18)17(20)19-10-14-5-3-4-6-15(14)11-21-2/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide?
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 32604559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).