N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide

C17H16FNO2 — CID 91421859

IUPACN-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide
SMILESCc1ccc(NC(=O)C=COc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H16FNO2/c1-12-3-6-15(11-13(12)2)19-17(20)9-10-21-16-7-4-14(18)5-8-16/h3-11H,1-2H3,(H,19,20)
InChIKeyJXAFYKJAXWBPFE-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.97
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide

N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide (PubChem CID 91421859) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide
PubChem CID91421859
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide
SMILESCc1ccc(NC(=O)C=COc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H16FNO2/c1-12-3-6-15(11-13(12)2)19-17(20)9-10-21-16-7-4-14(18)5-8-16/h3-11H,1-2H3,(H,19,20)
InChIKeyJXAFYKJAXWBPFE-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.97
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

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
N-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methoxy]prop-2-enamide
CID 91402188
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide
CID 69127655
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
(E)-3-[4-(cyanomethoxy)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 26593794
methyl (2E)-6-(3,4-dimethylanilino)-4-hydroxy-6-oxohexa-2,4-dienoate
CID 54716134
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
(E)-N-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6041461
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide (CID 91421859) is N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide is Cc1ccc(NC(=O)C=COc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide?
The InChIKey is JXAFYKJAXWBPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-12-3-6-15(11-13(12)2)19-17(20)9-10-21-16-7-4-14(18)5-8-16/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide?
N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide has a molecular weight of 285.32 g/mol, XLogP of 3.97, 4 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-(4-fluorophenoxy)prop-2-enamide is sourced from PubChem (CID 91421859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).