phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate

C22H18ClNO2 — CID 67544941

IUPACphenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccc(Cl)cc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H18ClNO2/c1-17(16-25-20-14-12-18(23)13-15-20)22(24-19-8-4-2-5-9-19)26-21-10-6-3-7-11-21/h2-16H,1H3/b17-16+,24-22+
InChIKeyVNFAAQSQPAOIRA-KOARNGDQSA-N
MW363.84 g/mol
LogP6.43
Rot. Bonds5

About phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate

phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate (PubChem CID 67544941) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate.

Molecular Properties

Compound Namephenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
PubChem CID67544941
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Namephenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccc(Cl)cc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H18ClNO2/c1-17(16-25-20-14-12-18(23)13-15-20)22(24-19-8-4-2-5-9-19)26-21-10-6-3-7-11-21/h2-16H,1H3/b17-16+,24-22+
InChIKeyVNFAAQSQPAOIRA-KOARNGDQSA-N
XLogP6.43
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 56.43
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

phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498296
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-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498375
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 67545800
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
phenyl 2-methyl-N-(2-methylphenyl)-3-phenoxyprop-2-enimidate
CID 67544812
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
(2-chlorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)prop-2-enimidate
CID 67542931
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
CID 67544900

Frequently Asked Questions

What is the IUPAC name of phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate?
The IUPAC name of phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate (CID 67544941) is phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate.
What is the SMILES notation for phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate?
The canonical SMILES for phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate is CC(=C\Oc1ccc(Cl)cc1)/C(=N\c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate?
The InChIKey is VNFAAQSQPAOIRA-KOARNGDQSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-17(16-25-20-14-12-18(23)13-15-20)22(24-19-8-4-2-5-9-19)26-21-10-6-3-7-11-21/h2-16H,1H3/b17-16+,24-22+.
What are the key properties of phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate?
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate has a molecular weight of 363.84 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate is sourced from PubChem (CID 67544941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).