N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

C20H23FN2O2 — CID 150453946

IUPACN-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)COc2ccccc2F)cc1C
InChIInChI=1S/C20H23FN2O2/c1-5-23(4)13-22-18-11-14(2)16(10-15(18)3)19(24)12-25-20-9-7-6-8-17(20)21/h6-11,13H,5,12H2,1-4H3/b22-13+
InChIKeyHOJQQVHMAQWESB-LPYMAVHISA-N
MW342.41 g/mol
LogP4.32
Rot. Bonds7

About N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 150453946) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID150453946
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)COc2ccccc2F)cc1C
InChIInChI=1S/C20H23FN2O2/c1-5-23(4)13-22-18-11-14(2)16(10-15(18)3)19(24)12-25-20-9-7-6-8-17(20)21/h6-11,13H,5,12H2,1-4H3/b22-13+
InChIKeyHOJQQVHMAQWESB-LPYMAVHISA-N
XLogP4.32
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[2-[2-(difluoromethoxy)phenyl]acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372361
N'-[4-[2-(3,4-dichlorophenoxy)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362934
N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide
CID 135363420
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
N'-[4-[2-(2-chloro-5-fluoro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362603
N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 91496481
N'-[4-[2-(3-chloro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142458820
N'-[2-cyclopropyl-4-(2-fluorophenoxy)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135123496
(4-pyridin-2-ylphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155324959
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 150453946) is N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C(=O)COc2ccccc2F)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is HOJQQVHMAQWESB-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-5-23(4)13-22-18-11-14(2)16(10-15(18)3)19(24)12-25-20-9-7-6-8-17(20)21/h6-11,13H,5,12H2,1-4H3/b22-13+.
What are the key properties of N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 342.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 150453946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).