N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide

C16H15F2NO3 — CID 46590232

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
SMILESCOc1ccc(CNC(=O)c2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C16H15F2NO3/c1-21-11-7-6-10(14(8-11)22-2)9-19-16(20)15-12(17)4-3-5-13(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyAOQBVKJSBKZLMJ-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.91
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide

N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide (PubChem CID 46590232) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
PubChem CID46590232
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
SMILESCOc1ccc(CNC(=O)c2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C16H15F2NO3/c1-21-11-7-6-10(14(8-11)22-2)9-19-16(20)15-12(17)4-3-5-13(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyAOQBVKJSBKZLMJ-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46590142
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 6736700
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide (CID 46590232) is N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide is COc1ccc(CNC(=O)c2c(F)cccc2F)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide?
The InChIKey is AOQBVKJSBKZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-21-11-7-6-10(14(8-11)22-2)9-19-16(20)15-12(17)4-3-5-13(15)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide has a molecular weight of 307.30 g/mol, XLogP of 2.91, 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]-2,6-difluorobenzamide is sourced from PubChem (CID 46590232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).