3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide

C15H13F3N2O — CID 143223174

IUPAC3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(F)c1Nc1ccc(C)cc1F
InChIInChI=1S/C15H13F3N2O/c1-8-3-6-12(11(17)7-8)20-14-9(15(21)19-2)4-5-10(16)13(14)18/h3-7,20H,1-2H3,(H,19,21)
InChIKeyDQYNHJUSECTWJJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.52
Rot. Bonds3

About 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide (PubChem CID 143223174) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
PubChem CID143223174
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(F)c1Nc1ccc(C)cc1F
InChIInChI=1S/C15H13F3N2O/c1-8-3-6-12(11(17)7-8)20-14-9(15(21)19-2)4-5-10(16)13(14)18/h3-7,20H,1-2H3,(H,19,21)
InChIKeyDQYNHJUSECTWJJ-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
1-[[3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl]amino]-3-(2-hydroxyethyl)urea;ethane;2-methylpropane
CID 142912634
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
CID 142266274
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide (CID 143223174) is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide is CNC(=O)c1ccc(F)c(F)c1Nc1ccc(C)cc1F.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
The InChIKey is DQYNHJUSECTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-8-3-6-12(11(17)7-8)20-14-9(15(21)19-2)4-5-10(16)13(14)18/h3-7,20H,1-2H3,(H,19,21).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide?
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide has a molecular weight of 294.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide is sourced from PubChem (CID 143223174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).