4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline

C18H16FNO — CID 44548163

IUPAC4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc3cc(F)ccc3o2)cc1
InChIInChI=1S/C18H16FNO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+
InChIKeyVCLLMDCXDPWUSV-WEVVVXLNSA-N
MW281.33 g/mol
LogP4.81
Rot. Bonds3

About 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 44548163) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID44548163
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc3cc(F)ccc3o2)cc1
InChIInChI=1S/C18H16FNO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+
InChIKeyVCLLMDCXDPWUSV-WEVVVXLNSA-N
XLogP4.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-
CID 5900716
(E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one
CID 6524131
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
[4-(dimethylamino)phenyl](2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10110088
1-(1-Benzofuran-2-yl)-3-[(3-fluorophenyl)amino]propan-1-one
CID 1508394
(2Z)-2-[(4-dimethylaminophenyl)methylene]benzofuran-3-one
CID 5467627
5-Methoxy-2-(4-dimethylaminophenyl)benzofuran
CID 11673398
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
1-(1-Benzofuran-2-yl)-3-[(4-fluorophenyl)amino]propan-1-one
CID 1503535
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (CID 44548163) is 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cc3cc(F)ccc3o2)cc1.
What is the InChIKey of 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is VCLLMDCXDPWUSV-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H16FNO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+.
What are the key properties of 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 281.33 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-fluoro-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 44548163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).