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

C18H18ClF3N2O — CID 22481240

IUPACN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C18H18ClF3N2O/c1-11-8-17(12(2)7-16(11)23-10-24(3)4)25-13-5-6-15(19)14(9-13)18(20,21)22/h5-10H,1-4H3/b23-10+
InChIKeyKQXITKBDMPVQBK-AUEPDCJTSA-N
MW370.80 g/mol
LogP5.99
Rot. Bonds4

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

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 22481240) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID22481240
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C18H18ClF3N2O/c1-11-8-17(12(2)7-16(11)23-10-24(3)4)25-13-5-6-15(19)14(9-13)18(20,21)22/h5-10H,1-4H3/b23-10+
InChIKeyKQXITKBDMPVQBK-AUEPDCJTSA-N
XLogP5.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.99
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 22481240) is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1/N=C/N(C)C.
What is the InChIKey of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is KQXITKBDMPVQBK-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-11-8-17(12(2)7-16(11)23-10-24(3)4)25-13-5-6-15(19)14(9-13)18(20,21)22/h5-10H,1-4H3/b23-10+.
What are the key properties of N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 370.80 g/mol, XLogP of 5.99, 4 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,N-dimethylmethanimidamide is sourced from PubChem (CID 22481240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).