N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C20H23F3N2O — CID 69048408

IUPACN'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(Oc2cccc(CCF)c2)cc1C
InChIInChI=1S/C20H23F3N2O/c1-4-25(3)13-24-18-12-17(20(22)23)19(10-14(18)2)26-16-7-5-6-15(11-16)8-9-21/h5-7,10-13,20H,4,8-9H2,1-3H3/b24-13+
InChIKeyCUTITJURFHQAPJ-ZMOGYAJESA-N
MW364.41 g/mol
LogP5.85
Rot. Bonds8

About N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 69048408) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID69048408
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(Oc2cccc(CCF)c2)cc1C
InChIInChI=1S/C20H23F3N2O/c1-4-25(3)13-24-18-12-17(20(22)23)19(10-14(18)2)26-16-7-5-6-15(11-16)8-9-21/h5-7,10-13,20H,4,8-9H2,1-3H3/b24-13+
InChIKeyCUTITJURFHQAPJ-ZMOGYAJESA-N
XLogP5.85
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide 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

N-ethyl-N'-[4-[3-(2-hydroxyethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69040886
N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69042396
N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 141498795
N'-[2,5-dimethyl-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]sulfanylphenyl]-N-ethyl-N-methylmethanimidamide
CID 71722739
N'-[4-(4-chloro-3-propan-2-ylphenoxy)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142439547
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589913
N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322836
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[2,5-dimethyl-4-[4-(4-methylsulfanylphenyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 68598189
N-ethyl-N'-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 58214447
N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide
CID 144725176
N-[[3-[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenoxy]phenyl]-methyl-oxo-λ6-sulfanylidene]cyclobutanecarboxamide
CID 146546070

Frequently Asked Questions

What is the IUPAC name of N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 69048408) is N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C(F)F)c(Oc2cccc(CCF)c2)cc1C.
What is the InChIKey of N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is CUTITJURFHQAPJ-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-4-25(3)13-24-18-12-17(20(22)23)19(10-14(18)2)26-16-7-5-6-15(11-16)8-9-21/h5-7,10-13,20H,4,8-9H2,1-3H3/b24-13+.
What are the key properties of N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 364.41 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 69048408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).