N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide

C20H24ClFN2O — CID 68589299

IUPACN'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
SMILESCCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(Cl)c2)cc1C)CC
InChIInChI=1S/C20H24ClFN2O/c1-5-9-24(6-2)13-23-19-10-15(4)20(11-14(19)3)25-16-7-8-18(22)17(21)12-16/h7-8,10-13H,5-6,9H2,1-4H3/b23-13+
InChIKeyDDSGRIYSVBKZCK-YDZHTSKRSA-N
MW362.88 g/mol
LogP6.28
Rot. Bonds7

About N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide

N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide (PubChem CID 68589299) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
PubChem CID68589299
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC NameN'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
SMILESCCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(Cl)c2)cc1C)CC
InChIInChI=1S/C20H24ClFN2O/c1-5-9-24(6-2)13-23-19-10-15(4)20(11-14(19)3)25-16-7-8-18(22)17(21)12-16/h7-8,10-13H,5-6,9H2,1-4H3/b23-13+
InChIKeyDDSGRIYSVBKZCK-YDZHTSKRSA-N
XLogP6.28
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.88
LogP ≤ 56.28
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-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide?
The IUPAC name of N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide (CID 68589299) is N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide.
What is the SMILES notation for N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide?
The canonical SMILES for N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide is CCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(Cl)c2)cc1C)CC.
What is the InChIKey of N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide?
The InChIKey is DDSGRIYSVBKZCK-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H24ClFN2O/c1-5-9-24(6-2)13-23-19-10-15(4)20(11-14(19)3)25-16-7-8-18(22)17(21)12-16/h7-8,10-13H,5-6,9H2,1-4H3/b23-13+.
What are the key properties of N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide?
N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide has a molecular weight of 362.88 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide is sourced from PubChem (CID 68589299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).