(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate

C24H21F2NO2 — CID 91181507

IUPAC(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate
SMILESCc1cccc(O/C(C=COc2ccc(F)c(F)c2)=N/c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H21F2NO2/c1-16-5-4-6-21(13-16)29-24(27-19-8-7-17(2)18(3)14-19)11-12-28-20-9-10-22(25)23(26)15-20/h4-15H,1-3H3/b12-11?,27-24+
InChIKeyZHWDNOYLKVYSST-AFBXSJHLSA-N
MW393.43 g/mol
LogP6.59
Rot. Bonds5

About (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate

(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate (PubChem CID 91181507) has the molecular formula C24H21F2NO2 and a molecular weight of 393.43 g/mol. Its IUPAC name is (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate.

Molecular Properties

Compound Name(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate
PubChem CID91181507
Molecular FormulaC24H21F2NO2
Molecular Weight393.43 g/mol
Exact Mass393.15
IUPAC Name(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate
SMILESCc1cccc(O/C(C=COc2ccc(F)c(F)c2)=N/c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H21F2NO2/c1-16-5-4-6-21(13-16)29-24(27-19-8-7-17(2)18(3)14-19)11-12-28-20-9-10-22(25)23(26)15-20/h4-15H,1-3H3/b12-11?,27-24+
InChIKeyZHWDNOYLKVYSST-AFBXSJHLSA-N
XLogP6.59
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 56.59
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'}

Analyze (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[3-(3,4-dimethylphenyl)imino-3-(3-methylphenoxy)prop-1-enoxy]benzoate
CID 90972531
1-methyl-3-[(Z)-prop-1-enoxy]benzene
CID 643746
CID 99943988
CID 99943988
phenyl 3-(3-methylphenyl)sulfanyl-N-phenylprop-2-enimidate
CID 91159883
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498355
ethane;1-methyl-3-[(E)-prop-1-enoxy]benzene;prop-1-ene
CID 143800942
4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene
CID 170928678
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene
CID 91209223
(3-methylphenyl) (2E)-2-[(4-methylphenoxy)methylidene]-N-phenylbutanimidate
CID 67545817
(3-ethylphenyl) (E)-N-(3,4-dimethylphenyl)-3-(2-methoxyphenoxy)-2-methylprop-2-enimidate
CID 67545260

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate?
The IUPAC name of (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate (CID 91181507) is (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate.
What is the SMILES notation for (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate?
The canonical SMILES for (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate is Cc1cccc(O/C(C=COc2ccc(F)c(F)c2)=N/c2ccc(C)c(C)c2)c1.
What is the InChIKey of (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate?
The InChIKey is ZHWDNOYLKVYSST-AFBXSJHLSA-N. The full InChI is InChI=1S/C24H21F2NO2/c1-16-5-4-6-21(13-16)29-24(27-19-8-7-17(2)18(3)14-19)11-12-28-20-9-10-22(25)23(26)15-20/h4-15H,1-3H3/b12-11?,27-24+.
What are the key properties of (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate?
(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate has a molecular weight of 393.43 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate is sourced from PubChem (CID 91181507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).