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

C14H11F3N2O2 — CID 143223156

IUPAC3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
SMILESCc1ccc(Nc2c(C(=O)NO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C14H11F3N2O2/c1-7-2-5-11(10(16)6-7)18-13-8(14(20)19-21)3-4-9(15)12(13)17/h2-6,18,21H,1H3,(H,19,20)
InChIKeyMNKLGFPMYIOJBI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.27
Rot. Bonds3

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

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide (PubChem CID 143223156) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
PubChem CID143223156
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
SMILESCc1ccc(Nc2c(C(=O)NO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C14H11F3N2O2/c1-7-2-5-11(10(16)6-7)18-13-8(14(20)19-21)3-4-9(15)12(13)17/h2-6,18,21H,1H3,(H,19,20)
InChIKeyMNKLGFPMYIOJBI-UHFFFAOYSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
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
1-[[3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl]amino]-3-(2-hydroxyethyl)urea;ethane;2-methylpropane
CID 142912634
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
CID 142266274
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide (CID 143223156) is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide is Cc1ccc(Nc2c(C(=O)NO)ccc(F)c2F)c(F)c1.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide?
The InChIKey is MNKLGFPMYIOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-7-2-5-11(10(16)6-7)18-13-8(14(20)19-21)3-4-9(15)12(13)17/h2-6,18,21H,1H3,(H,19,20).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide?
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide has a molecular weight of 296.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide is sourced from PubChem (CID 143223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).