N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide

C19H20F3N3O2 — CID 139653538

IUPACN'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide
SMILESCC/N=C(\N)C(=NOC)c1ccccc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c1-3-24-18(23)17(25-26-2)16-10-5-4-7-13(16)12-27-15-9-6-8-14(11-15)19(20,21)22/h4-11H,3,12H2,1-2H3,(H2,23,24)
InChIKeyMKPFAKVSTQAMIZ-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.01
Rot. Bonds7

About N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide

N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide (PubChem CID 139653538) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide
PubChem CID139653538
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide
SMILESCC/N=C(\N)C(=NOC)c1ccccc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c1-3-24-18(23)17(25-26-2)16-10-5-4-7-13(16)12-27-15-9-6-8-14(11-15)19(20,21)22/h4-11H,3,12H2,1-2H3,(H2,23,24)
InChIKeyMKPFAKVSTQAMIZ-UHFFFAOYSA-N
XLogP4.01
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
CID 139653553
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323
2-methoxyimino-2-[2-[[[3-methoxyimino-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]prop-1-en-2-yl]amino]oxymethyl]phenyl]-N-methylacetamide
CID 57300176
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 142667829
2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide
CID 54152955
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(2E)-2-[[2-[(E)-N-methoxy-C-methoxycarbonylcarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 172919111
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
(2E)-2-[2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide;methyl (2E)-2-[2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 172928235
methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]oxymethyl]phenyl]acetate
CID 18433736

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide?
The IUPAC name of N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide (CID 139653538) is N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide.
What is the SMILES notation for N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide?
The canonical SMILES for N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide is CC/N=C(\N)C(=NOC)c1ccccc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide?
The InChIKey is MKPFAKVSTQAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-3-24-18(23)17(25-26-2)16-10-5-4-7-13(16)12-27-15-9-6-8-14(11-15)19(20,21)22/h4-11H,3,12H2,1-2H3,(H2,23,24).
What are the key properties of N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide?
N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide has a molecular weight of 379.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide is sourced from PubChem (CID 139653538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).