N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide

C16H16FNO4 — CID 110776470

IUPACN-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1F
InChIInChI=1S/C16H16FNO4/c1-20-12-8-7-10(9-11(12)17)18-16(19)15-13(21-2)5-4-6-14(15)22-3/h4-9H,1-3H3,(H,18,19)
InChIKeyXUZSSUDIZJKHDP-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.10
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide

N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide (PubChem CID 110776470) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
PubChem CID110776470
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1F
InChIInChI=1S/C16H16FNO4/c1-20-12-8-7-10(9-11(12)17)18-16(19)15-13(21-2)5-4-6-14(15)22-3/h4-9H,1-3H3,(H,18,19)
InChIKeyXUZSSUDIZJKHDP-UHFFFAOYSA-N
XLogP3.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(3,5-difluorophenyl)-2,6-dimethoxybenzamide
CID 2989177
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide (CID 110776470) is N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide is COc1ccc(NC(=O)c2c(OC)cccc2OC)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide?
The InChIKey is XUZSSUDIZJKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-20-12-8-7-10(9-11(12)17)18-16(19)15-13(21-2)5-4-6-14(15)22-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide?
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide has a molecular weight of 305.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 110776470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).