(E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide

C14H12FNO2 — CID 127033983

IUPAC(E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(F)cc2)co1)C(N)=O
InChIInChI=1S/C14H12FNO2/c1-9(14(16)17)6-13-7-11(8-18-13)10-2-4-12(15)5-3-10/h2-8H,1H3,(H2,16,17)/b9-6+
InChIKeyLPBGPCQEUBNZEX-RMKNXTFCSA-N
MW245.25 g/mol
LogP2.97
Rot. Bonds3

About (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide

(E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide (PubChem CID 127033983) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide
PubChem CID127033983
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(F)cc2)co1)C(N)=O
InChIInChI=1S/C14H12FNO2/c1-9(14(16)17)6-13-7-11(8-18-13)10-2-4-12(15)5-3-10/h2-8H,1H3,(H2,16,17)/b9-6+
InChIKeyLPBGPCQEUBNZEX-RMKNXTFCSA-N
XLogP2.97
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
Acrylophenone, 3-(2-furyl)-
CID 5354164
5-(4-Fluoro-phenyl)-furan-2-carbaldehyde
CID 766117
3-(Furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2771861
(5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1204893
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
1-(4-Fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5709307
3-(2-Furyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 5709430
Brasilamide E
CID 71747915
Methanone, 2-furanylphenyl-
CID 137679
2,4-Diphenylfuran
CID 344972
4-(Furan-3-Yl)Benzaldehyde
CID 21526045

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide (CID 127033983) is (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide is C/C(=C\c1cc(-c2ccc(F)cc2)co1)C(N)=O.
What is the InChIKey of (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide?
The InChIKey is LPBGPCQEUBNZEX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9(14(16)17)6-13-7-11(8-18-13)10-2-4-12(15)5-3-10/h2-8H,1H3,(H2,16,17)/b9-6+.
What are the key properties of (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide?
(E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide has a molecular weight of 245.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-fluorophenyl)furan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 127033983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).