(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide

C12H12FNO — CID 6143200

IUPAC(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-2-9-14-12(15)8-5-10-3-6-11(13)7-4-10/h2-8H,1,9H2,(H,14,15)/b8-5+
InChIKeyCHKIRRNBKWKPCQ-VMPITWQZSA-N
MW205.23 g/mol
LogP2.14
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide

(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 6143200) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
PubChem CID6143200
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-2-9-14-12(15)8-5-10-3-6-11(13)7-4-10/h2-8H,1,9H2,(H,14,15)/b8-5+
InChIKeyCHKIRRNBKWKPCQ-VMPITWQZSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-amino-4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 39244291
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(E)-3-(3-amino-4-chlorophenyl)-N-prop-2-enylprop-2-enamide
CID 82044274
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
2-[[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387528
3-[3-(4-fluorophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113763
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 24641034
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide (CID 6143200) is (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is CHKIRRNBKWKPCQ-VMPITWQZSA-N. The full InChI is InChI=1S/C12H12FNO/c1-2-9-14-12(15)8-5-10-3-6-11(13)7-4-10/h2-8H,1,9H2,(H,14,15)/b8-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide?
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 205.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 6143200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).