(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide

C17H18FNO2 — CID 86950457

IUPAC(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
SMILESC/C(=C/C(=O)NCc1cc(C)oc1C)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-11(14-5-4-6-16(18)9-14)7-17(20)19-10-15-8-12(2)21-13(15)3/h4-9H,10H2,1-3H3,(H,19,20)/b11-7-
InChIKeyDBCPHLDJKVGDNN-XFFZJAGNSA-N
MW287.33 g/mol
LogP3.76
Rot. Bonds4

About (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide

(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide (PubChem CID 86950457) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
PubChem CID86950457
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
SMILESC/C(=C/C(=O)NCc1cc(C)oc1C)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-11(14-5-4-6-16(18)9-14)7-17(20)19-10-15-8-12(2)21-13(15)3/h4-9H,10H2,1-3H3,(H,19,20)/b11-7-
InChIKeyDBCPHLDJKVGDNN-XFFZJAGNSA-N
XLogP3.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.76
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

(Z)-3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]but-2-enamide
CID 111481361
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
CID 90536053
(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
CID 95621354
(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
CID 110297035
3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536049
3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide
CID 111539632
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 86950496
(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
CID 110022218
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 71807011
3-(3-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]but-2-enamide
CID 111484871
methyl 3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]benzoate
CID 84586835

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide?
The IUPAC name of (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide (CID 86950457) is (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide.
What is the SMILES notation for (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide?
The canonical SMILES for (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide is C/C(=C/C(=O)NCc1cc(C)oc1C)c1cccc(F)c1.
What is the InChIKey of (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide?
The InChIKey is DBCPHLDJKVGDNN-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11(14-5-4-6-16(18)9-14)7-17(20)19-10-15-8-12(2)21-13(15)3/h4-9H,10H2,1-3H3,(H,19,20)/b11-7-.
What are the key properties of (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide?
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide has a molecular weight of 287.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide is sourced from PubChem (CID 86950457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).