2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide

C20H12FN3O4 — CID 7025592

IUPAC2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H12FN3O4/c21-15-6-4-13(5-7-15)19-9-8-18(28-19)10-14(12-22)20(25)23-16-2-1-3-17(11-16)24(26)27/h1-11H,(H,23,25)
InChIKeyQSKHHMSWEOCIGS-UHFFFAOYSA-N
MW377.33 g/mol
LogP4.54
Rot. Bonds5

About 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide

2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide (PubChem CID 7025592) has the molecular formula C20H12FN3O4 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
PubChem CID7025592
Molecular FormulaC20H12FN3O4
Molecular Weight377.33 g/mol
Exact Mass377.08
IUPAC Name2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H12FN3O4/c21-15-6-4-13(5-7-15)19-9-8-18(28-19)10-14(12-22)20(25)23-16-2-1-3-17(11-16)24(26)27/h1-11H,(H,23,25)
InChIKeyQSKHHMSWEOCIGS-UHFFFAOYSA-N
XLogP4.54
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863479
(Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1182671
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 3444299
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-fluorophenyl)prop-2-enamide
CID 6092732
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 1350949
2-cyano-N-(4-methoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1351131
(E)-2-cyano-N-(4-ethylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6103452
2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 3137908
(E)-2-cyano-N-(2-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 18863676
(E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 1354810
(E)-N-(3-chlorophenyl)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863522

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide (CID 7025592) is 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide is N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide?
The InChIKey is QSKHHMSWEOCIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O4/c21-15-6-4-13(5-7-15)19-9-8-18(28-19)10-14(12-22)20(25)23-16-2-1-3-17(11-16)24(26)27/h1-11H,(H,23,25).
What are the key properties of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide?
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide has a molecular weight of 377.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 7025592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).