N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide

C25H24ClF3N2O — CID 175877172

IUPACN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide
SMILESCCN(C)/C(=N\c1cc(C)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C)c1ccccc1
InChIInChI=1S/C25H24ClF3N2O/c1-5-31(4)24(18-9-7-6-8-10-18)30-22-13-17(3)23(14-16(22)2)32-19-11-12-21(26)20(15-19)25(27,28)29/h6-15H,5H2,1-4H3/b30-24-
InChIKeyVSDBRWPCNBXRKG-KRUMMXJUSA-N
MW460.93 g/mol
LogP7.80
Rot. Bonds5

About N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide (PubChem CID 175877172) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide
PubChem CID175877172
Molecular FormulaC25H24ClF3N2O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC NameN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide
SMILESCCN(C)/C(=N\c1cc(C)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C)c1ccccc1
InChIInChI=1S/C25H24ClF3N2O/c1-5-31(4)24(18-9-7-6-8-10-18)30-22-13-17(3)23(14-16(22)2)32-19-11-12-21(26)20(15-19)25(27,28)29/h6-15H,5H2,1-4H3/b30-24-
InChIKeyVSDBRWPCNBXRKG-KRUMMXJUSA-N
XLogP7.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 57.80
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'}

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Related Compounds

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide;N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 158692390
N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,2-dimethylprop-2-enimidamide
CID 175505562
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[4-[4-chloro-3-(1,1,2,2-tetrafluoroethylsulfanyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 90358578
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide;N-[N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
CID 158157941
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 58153434
N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 25158782
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]benzoic acid
CID 56836646

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide?
The IUPAC name of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide (CID 175877172) is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide?
The canonical SMILES for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide is CCN(C)/C(=N\c1cc(C)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C)c1ccccc1.
What is the InChIKey of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide?
The InChIKey is VSDBRWPCNBXRKG-KRUMMXJUSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c1-5-31(4)24(18-9-7-6-8-10-18)30-22-13-17(3)23(14-16(22)2)32-19-11-12-21(26)20(15-19)25(27,28)29/h6-15H,5H2,1-4H3/b30-24-.
What are the key properties of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide?
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide has a molecular weight of 460.93 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide is sourced from PubChem (CID 175877172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).