2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide

C19H20FN3O4 — CID 72621774

IUPAC2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide
SMILESCON=C(C(=O)NO)c1c(F)cccc1CON=C(C)c1cccc(C)c1
InChIInChI=1S/C19H20FN3O4/c1-12-6-4-7-14(10-12)13(2)22-27-11-15-8-5-9-16(20)17(15)18(23-26-3)19(24)21-25/h4-10,25H,11H2,1-3H3,(H,21,24)
InChIKeyXMTNKSODDBRSEI-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.93
Rot. Bonds7

About 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide

2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide (PubChem CID 72621774) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide
PubChem CID72621774
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide
SMILESCON=C(C(=O)NO)c1c(F)cccc1CON=C(C)c1cccc(C)c1
InChIInChI=1S/C19H20FN3O4/c1-12-6-4-7-14(10-12)13(2)22-27-11-15-8-5-9-16(20)17(15)18(23-26-3)19(24)21-25/h4-10,25H,11H2,1-3H3,(H,21,24)
InChIKeyXMTNKSODDBRSEI-UHFFFAOYSA-N
XLogP2.93
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
CID 22899348
(2Z)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
CID 99719160
trifloxystrobin TP3
CID 21989277
(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970860
(2E)-2-[2-[[(E)-1-(6-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970861
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 24970862
(2E)-2-[2-[[(E)-1-(5-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970863
methyl (1Z)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-3,5-bis(trifluoromethyl)benzenecarboximidate
CID 25023682
(2Z)-2-[2-[[(E)-1-[2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 17949625
(2Z)-2-[2-[[(E)-1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 17949632
(2Z)-2-[2-[[(E)-[(1E)-1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22616642
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 24756592

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide?
The IUPAC name of 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide (CID 72621774) is 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide.
What is the SMILES notation for 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide?
The canonical SMILES for 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide is CON=C(C(=O)NO)c1c(F)cccc1CON=C(C)c1cccc(C)c1.
What is the InChIKey of 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide?
The InChIKey is XMTNKSODDBRSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12-6-4-7-14(10-12)13(2)22-27-11-15-8-5-9-16(20)17(15)18(23-26-3)19(24)21-25/h4-10,25H,11H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide?
2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide has a molecular weight of 373.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide is sourced from PubChem (CID 72621774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).