2,4-difluoro-N-methoxy-5-methylbenzamide

C9H9F2NO2 — CID 23394047

IUPAC2,4-difluoro-N-methoxy-5-methylbenzamide
SMILESCONC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-5-3-6(9(13)12-14-2)8(11)4-7(5)10/h3-4H,1-2H3,(H,12,13)
InChIKeySVVIAZBLTJLOPF-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.56
Rot. Bonds2

About 2,4-difluoro-N-methoxy-5-methylbenzamide

2,4-difluoro-N-methoxy-5-methylbenzamide (PubChem CID 23394047) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2,4-difluoro-N-methoxy-5-methylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methoxy-5-methylbenzamide
PubChem CID23394047
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2,4-difluoro-N-methoxy-5-methylbenzamide
SMILESCONC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-5-3-6(9(13)12-14-2)8(11)4-7(5)10/h3-4H,1-2H3,(H,12,13)
InChIKeySVVIAZBLTJLOPF-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

4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
ethyl 3-(2,4-difluoro-5-methylphenyl)-3-oxopropanoate
CID 156848320
methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
CID 97340531
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
CID 112701308
N-(4-amino-2-methylphenyl)-2,4-difluoro-5-methylbenzamide
CID 115737618
N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
CID 106122327
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119565199
N-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 107322118

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methoxy-5-methylbenzamide?
The IUPAC name of 2,4-difluoro-N-methoxy-5-methylbenzamide (CID 23394047) is 2,4-difluoro-N-methoxy-5-methylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-methoxy-5-methylbenzamide?
The canonical SMILES for 2,4-difluoro-N-methoxy-5-methylbenzamide is CONC(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methoxy-5-methylbenzamide?
The InChIKey is SVVIAZBLTJLOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-3-6(9(13)12-14-2)8(11)4-7(5)10/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2,4-difluoro-N-methoxy-5-methylbenzamide?
2,4-difluoro-N-methoxy-5-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 2,4-difluoro-N-methoxy-5-methylbenzamide is sourced from PubChem (CID 23394047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).