2,3-difluoro-N-methoxy-4-methylbenzamide

C9H9F2NO2 — CID 168957228

IUPAC2,3-difluoro-N-methoxy-4-methylbenzamide
SMILESCONC(=O)c1ccc(C)c(F)c1F
InChIInChI=1S/C9H9F2NO2/c1-5-3-4-6(8(11)7(5)10)9(13)12-14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyBEDLTGPNTKVBNT-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.56
Rot. Bonds2

About 2,3-difluoro-N-methoxy-4-methylbenzamide

2,3-difluoro-N-methoxy-4-methylbenzamide (PubChem CID 168957228) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2,3-difluoro-N-methoxy-4-methylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-methoxy-4-methylbenzamide
PubChem CID168957228
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2,3-difluoro-N-methoxy-4-methylbenzamide
SMILESCONC(=O)c1ccc(C)c(F)c1F
InChIInChI=1S/C9H9F2NO2/c1-5-3-4-6(8(11)7(5)10)9(13)12-14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyBEDLTGPNTKVBNT-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-2-fluoro-N-methoxybenzamide
CID 164894951
2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172
1-(2,3-difluoro-4-methylphenyl)-2,2-dimethoxyethanone
CID 107512699
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
methyl 2-amino-3-fluoro-4-methylbenzoate;hydrochloride
CID 135309344
N-methoxy-4-methylthiophene-3-carboxamide
CID 79777235
2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
CID 130223984
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-bromo-N-methoxy-6-methylpyridine-3-carboxamide
CID 131155875

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methoxy-4-methylbenzamide?
The IUPAC name of 2,3-difluoro-N-methoxy-4-methylbenzamide (CID 168957228) is 2,3-difluoro-N-methoxy-4-methylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-methoxy-4-methylbenzamide?
The canonical SMILES for 2,3-difluoro-N-methoxy-4-methylbenzamide is CONC(=O)c1ccc(C)c(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methoxy-4-methylbenzamide?
The InChIKey is BEDLTGPNTKVBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-3-4-6(8(11)7(5)10)9(13)12-14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2,3-difluoro-N-methoxy-4-methylbenzamide?
2,3-difluoro-N-methoxy-4-methylbenzamide has a molecular weight of 201.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methoxy-4-methylbenzamide is sourced from PubChem (CID 168957228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).