N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide

C18H18FNO2 — CID 91402188

IUPACN-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide
SMILESCc1ccc(NC(=O)C=COCc2cccc(F)c2)cc1C
InChIInChI=1S/C18H18FNO2/c1-13-6-7-17(10-14(13)2)20-18(21)8-9-22-12-15-4-3-5-16(19)11-15/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyPEELIQYLTQSHGQ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.11
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide

N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide (PubChem CID 91402188) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide
PubChem CID91402188
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide
SMILESCc1ccc(NC(=O)C=COCc2cccc(F)c2)cc1C
InChIInChI=1S/C18H18FNO2/c1-13-6-7-17(10-14(13)2)20-18(21)8-9-22-12-15-4-3-5-16(19)11-15/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyPEELIQYLTQSHGQ-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide
CID 91421859
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-fluoro-3-[[(1Z,3Z)-3-methylhexa-1,3,5-trienoxy]methyl]benzene
CID 142189173
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide (CID 91402188) is N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide is Cc1ccc(NC(=O)C=COCc2cccc(F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide?
The InChIKey is PEELIQYLTQSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-6-7-17(10-14(13)2)20-18(21)8-9-22-12-15-4-3-5-16(19)11-15/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide?
N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide has a molecular weight of 299.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide is sourced from PubChem (CID 91402188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).