N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C19H20ClF3N2O2 — CID 135346369

IUPACN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20ClF3N2O2/c1-5-25(3)11-24-16-10-17(26-4)18(8-12(16)2)27-13-6-7-15(20)14(9-13)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+
InChIKeyCQZZGNAJJAJNQI-BHGWPJFGSA-N
MW400.83 g/mol
LogP6.08
Rot. Bonds6

About N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 135346369) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID135346369
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC NameN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20ClF3N2O2/c1-5-25(3)11-24-16-10-17(26-4)18(8-12(16)2)27-13-6-7-15(20)14(9-13)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+
InChIKeyCQZZGNAJJAJNQI-BHGWPJFGSA-N
XLogP6.08
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.83
LogP ≤ 56.08
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-[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'-[4-(4-chloro-3-propan-2-ylphenoxy)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142439547
N'-[4-[4-chloro-3-(1,1,2,2-tetrafluoroethylsulfanyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 90358578
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
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide
CID 175877172
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589913
N-ethyl-N'-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 58214447
N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68595820
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
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

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 135346369) is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C.
What is the InChIKey of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is CQZZGNAJJAJNQI-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-5-25(3)11-24-16-10-17(26-4)18(8-12(16)2)27-13-6-7-15(20)14(9-13)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+.
What are the key properties of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 400.83 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 135346369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).