3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane

C17H20F3N3O2 — CID 143173019

IUPAC3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
SMILESCC.Cc1ccc(Nc2c(C(N)=O)cc(CNO)c(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3N3O2.C2H6/c1-7-2-3-11(10(16)4-7)21-14-9(15(19)22)5-8(6-20-23)12(17)13(14)18;1-2/h2-5,20-21,23H,6H2,1H3,(H2,19,22);1-2H3
InChIKeyUTECYKDSBGZVDA-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.76
Rot. Bonds5

About 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane

3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane (PubChem CID 143173019) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
PubChem CID143173019
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
SMILESCC.Cc1ccc(Nc2c(C(N)=O)cc(CNO)c(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3N3O2.C2H6/c1-7-2-3-11(10(16)4-7)21-14-9(15(19)22)5-8(6-20-23)12(17)13(14)18;1-2/h2-5,20-21,23H,6H2,1H3,(H2,19,22);1-2H3
InChIKeyUTECYKDSBGZVDA-UHFFFAOYSA-N
XLogP3.76
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-(formamidomethyl)-N-(2-hydroxyethoxy)benzamide
CID 143173044
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(propan-2-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289384
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
5-[[2-(but-1-en-2-ylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 170230658
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(oxan-4-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289383
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-[[methyl(propylamino)amino]sulfanyloxyamino]-4-pyridinyl]methyl]benzamide;sulfane
CID 166677316
methyl 5-[[(2-acetyloxyacetyl)-methoxyamino]methyl]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoate
CID 166677751
ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 143399809

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane (CID 143173019) is 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane is CC.Cc1ccc(Nc2c(C(N)=O)cc(CNO)c(F)c2F)c(F)c1.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane?
The InChIKey is UTECYKDSBGZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2.C2H6/c1-7-2-3-11(10(16)4-7)21-14-9(15(19)22)5-8(6-20-23)12(17)13(14)18;1-2/h2-5,20-21,23H,6H2,1H3,(H2,19,22);1-2H3.
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane?
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane has a molecular weight of 355.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane is sourced from PubChem (CID 143173019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).