2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

C19H10F4N2O2 — CID 136527895

IUPAC2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#CC(=Cc1cc2cc(F)ccc2o1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H10F4N2O2/c20-13-5-6-17-11(7-13)8-14(27-17)9-12(10-24)18(26)25-16-4-2-1-3-15(16)19(21,22)23/h1-9H,(H,25,26)
InChIKeyKRYNZDGJBBNAHD-UHFFFAOYSA-N
MW374.29 g/mol
LogP5.14
Rot. Bonds3

About 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 136527895) has the molecular formula C19H10F4N2O2 and a molecular weight of 374.29 g/mol. Its IUPAC name is 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID136527895
Molecular FormulaC19H10F4N2O2
Molecular Weight374.29 g/mol
Exact Mass374.07
IUPAC Name2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#CC(=Cc1cc2cc(F)ccc2o1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H10F4N2O2/c20-13-5-6-17-11(7-13)8-14(27-17)9-12(10-24)18(26)25-16-4-2-1-3-15(16)19(21,22)23/h1-9H,(H,25,26)
InChIKeyKRYNZDGJBBNAHD-UHFFFAOYSA-N
XLogP5.14
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 47005743
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)prop-2-enoic acid
CID 71871341
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)prop-2-enamide
CID 71997115
(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863733
(E)-2-cyano-3-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175785
(E)-2-cyano-3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 729037
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18289861
(E)-2-cyano-N-[2-(trifluoromethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 27103001
(E)-3-(5-bromothiophen-3-yl)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 55578568
(Z)-2-cyano-3-(4-iodoanilino)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823040
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 958228

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 136527895) is 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is N#CC(=Cc1cc2cc(F)ccc2o1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is KRYNZDGJBBNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O2/c20-13-5-6-17-11(7-13)8-14(27-17)9-12(10-24)18(26)25-16-4-2-1-3-15(16)19(21,22)23/h1-9H,(H,25,26).
What are the key properties of 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 374.29 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 136527895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).