(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide

C21H15FN2O2 — CID 126023538

IUPAC(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H15FN2O2/c22-18-8-4-7-16(11-18)20-10-9-19(26-20)12-17(13-23)21(25)24-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,24,25)/b17-12-
InChIKeyUKQHYQGALDBHJP-ATVHPVEESA-N
MW346.36 g/mol
LogP4.31
Rot. Bonds5

About (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide

(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 126023538) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
PubChem CID126023538
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H15FN2O2/c22-18-8-4-7-16(11-18)20-10-9-19(26-20)12-17(13-23)21(25)24-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,24,25)/b17-12-
InChIKeyUKQHYQGALDBHJP-ATVHPVEESA-N
XLogP4.31
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.31
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-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
CID 126025634
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(Z)-2-cyano-N-(2-ethylphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 124652228
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 5191792
2-cyano-N-(2-phenylethyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1178610
(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218
N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4105918
(E)-N-(3-chlorophenyl)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863522
(Z)-2-cyano-N-(3-phenylpropyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 126227435
(E)-N-benzyl-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6529815
2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 4710196
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126019855

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide (CID 126023538) is (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide is N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is UKQHYQGALDBHJP-ATVHPVEESA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-18-8-4-7-16(11-18)20-10-9-19(26-20)12-17(13-23)21(25)24-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,24,25)/b17-12-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 346.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 126023538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).