(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate

C24H22ClNO2 — CID 67542931

IUPAC(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
SMILESCC(=C\Oc1ccc(C)cc1)/C(=N\c1ccc(C)cc1)Oc1ccccc1Cl
InChIInChI=1S/C24H22ClNO2/c1-17-8-12-20(13-9-17)26-24(28-23-7-5-4-6-22(23)25)19(3)16-27-21-14-10-18(2)11-15-21/h4-16H,1-3H3/b19-16+,26-24+
InChIKeyBPVOKJSFFVDZQH-OVZJJRPISA-N
MW391.90 g/mol
LogP7.05
Rot. Bonds5

About (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate

(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate (PubChem CID 67542931) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate.

Molecular Properties

Compound Name(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
PubChem CID67542931
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC Name(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
SMILESCC(=C\Oc1ccc(C)cc1)/C(=N\c1ccc(C)cc1)Oc1ccccc1Cl
InChIInChI=1S/C24H22ClNO2/c1-17-8-12-20(13-9-17)26-24(28-23-7-5-4-6-22(23)25)19(3)16-27-21-14-10-18(2)11-15-21/h4-16H,1-3H3/b19-16+,26-24+
InChIKeyBPVOKJSFFVDZQH-OVZJJRPISA-N
XLogP7.05
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67544941
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
phenyl (E)-3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 67544048
phenyl 3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498400
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498355
phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
CID 67544196
phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
CID 59498364
(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498375
phenyl 2-methyl-N-(2-methylphenyl)-3-phenoxyprop-2-enimidate
CID 67544812

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate?
The IUPAC name of (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate (CID 67542931) is (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate.
What is the SMILES notation for (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate?
The canonical SMILES for (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate is CC(=C\Oc1ccc(C)cc1)/C(=N\c1ccc(C)cc1)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate?
The InChIKey is BPVOKJSFFVDZQH-OVZJJRPISA-N. The full InChI is InChI=1S/C24H22ClNO2/c1-17-8-12-20(13-9-17)26-24(28-23-7-5-4-6-22(23)25)19(3)16-27-21-14-10-18(2)11-15-21/h4-16H,1-3H3/b19-16+,26-24+.
What are the key properties of (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate?
(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate has a molecular weight of 391.90 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate is sourced from PubChem (CID 67542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).