2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide

C20H20F2N4O4 — CID 57101780

IUPAC2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide
SMILESC=C(NOCc1ccccc1C(=NOC)C(N)=O)C(=NOC)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N4O4/c1-12(18(25-28-2)16-9-8-14(21)10-17(16)22)24-30-11-13-6-4-5-7-15(13)19(20(23)27)26-29-3/h4-10,24H,1,11H2,2-3H3,(H2,23,27)
InChIKeyUFJYCVCYLUVRFL-UHFFFAOYSA-N
MW418.40 g/mol
LogP2.39
Rot. Bonds10

About 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide

2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide (PubChem CID 57101780) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide
PubChem CID57101780
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC Name2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide
SMILESC=C(NOCc1ccccc1C(=NOC)C(N)=O)C(=NOC)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N4O4/c1-12(18(25-28-2)16-9-8-14(21)10-17(16)22)24-30-11-13-6-4-5-7-15(13)19(20(23)27)26-29-3/h4-10,24H,1,11H2,2-3H3,(H2,23,27)
InChIKeyUFJYCVCYLUVRFL-UHFFFAOYSA-N
XLogP2.39
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide?
The IUPAC name of 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide (CID 57101780) is 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide.
What is the SMILES notation for 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide?
The canonical SMILES for 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide is C=C(NOCc1ccccc1C(=NOC)C(N)=O)C(=NOC)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide?
The InChIKey is UFJYCVCYLUVRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-12(18(25-28-2)16-9-8-14(21)10-17(16)22)24-30-11-13-6-4-5-7-15(13)19(20(23)27)26-29-3/h4-10,24H,1,11H2,2-3H3,(H2,23,27).
What are the key properties of 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide?
2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide has a molecular weight of 418.40 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[3-(2,4-difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide is sourced from PubChem (CID 57101780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).