N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide

C17H18FNO3 — CID 71822155

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(F)c2)c(OC)c1
InChIInChI=1S/C17H18FNO3/c1-11-4-5-12(8-15(11)18)17(20)19-10-13-6-7-14(21-2)9-16(13)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyVLDPJQJUEZPYOS-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.08
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide

N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide (PubChem CID 71822155) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
PubChem CID71822155
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(F)c2)c(OC)c1
InChIInChI=1S/C17H18FNO3/c1-11-4-5-12(8-15(11)18)17(20)19-10-13-6-7-14(21-2)9-16(13)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyVLDPJQJUEZPYOS-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N-[(2,4-dimethoxyphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55577076
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide (CID 71822155) is N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide is COc1ccc(CNC(=O)c2ccc(C)c(F)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is VLDPJQJUEZPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11-4-5-12(8-15(11)18)17(20)19-10-13-6-7-14(21-2)9-16(13)22-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 71822155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).