(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate

C24H21Cl2NO2 — CID 91017634

IUPAC(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
SMILESCC(C)c1ccc(/N=C(\C=COc2ccccc2)Oc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C24H21Cl2NO2/c1-17(2)18-8-11-20(12-9-18)27-24(14-15-28-21-6-4-3-5-7-21)29-23-16-19(25)10-13-22(23)26/h3-17H,1-2H3/b15-14?,27-24+
InChIKeyYNBPZCXMZUMLQS-DYRXPONOSA-N
MW426.34 g/mol
LogP7.82
Rot. Bonds6

About (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate

(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate (PubChem CID 91017634) has the molecular formula C24H21Cl2NO2 and a molecular weight of 426.34 g/mol. Its IUPAC name is (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate.

Molecular Properties

Compound Name(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
PubChem CID91017634
Molecular FormulaC24H21Cl2NO2
Molecular Weight426.34 g/mol
Exact Mass425.09
IUPAC Name(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
SMILESCC(C)c1ccc(/N=C(\C=COc2ccccc2)Oc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C24H21Cl2NO2/c1-17(2)18-8-11-20(12-9-18)27-24(14-15-28-21-6-4-3-5-7-21)29-23-16-19(25)10-13-22(23)26/h3-17H,1-2H3/b15-14?,27-24+
InChIKeyYNBPZCXMZUMLQS-DYRXPONOSA-N
XLogP7.82
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 57.82
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 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
CID 90699433
1-O-(3-chlorophenyl) 4-O-(2,5-dichlorophenyl) (E)-but-2-enedioate
CID 91734075
methyl 4-[C-(2-phenylsulfanylethenyl)-N-(4-propan-2-ylphenyl)carbonimidoyl]oxybenzoate
CID 91332175
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382336
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
methyl 4-[3-(3,4-dimethylphenyl)imino-3-(3-methylphenoxy)prop-1-enoxy]benzoate
CID 90972531
N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide
CID 69127655
2-[[4-(2,5-dichlorophenoxy)-4-phenylbutyl]-methylamino]ethanol
CID 22715142

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
The IUPAC name of (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate (CID 91017634) is (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate.
What is the SMILES notation for (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
The canonical SMILES for (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate is CC(C)c1ccc(/N=C(\C=COc2ccccc2)Oc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
The InChIKey is YNBPZCXMZUMLQS-DYRXPONOSA-N. The full InChI is InChI=1S/C24H21Cl2NO2/c1-17(2)18-8-11-20(12-9-18)27-24(14-15-28-21-6-4-3-5-7-21)29-23-16-19(25)10-13-22(23)26/h3-17H,1-2H3/b15-14?,27-24+.
What are the key properties of (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate has a molecular weight of 426.34 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate is sourced from PubChem (CID 91017634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).