(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide

C14H18FNO — CID 39902992

IUPAC(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-4-14(2,3)16-13(17)10-7-11-5-8-12(15)9-6-11/h5-10H,4H2,1-3H3,(H,16,17)/b10-7+
InChIKeyIYLBZHBASFVVGW-JXMROGBWSA-N
MW235.30 g/mol
LogP3.14
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide (PubChem CID 39902992) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
PubChem CID39902992
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-4-14(2,3)16-13(17)10-7-11-5-8-12(15)9-6-11/h5-10H,4H2,1-3H3,(H,16,17)/b10-7+
InChIKeyIYLBZHBASFVVGW-JXMROGBWSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide (CID 39902992) is (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide is CCC(C)(C)NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is IYLBZHBASFVVGW-JXMROGBWSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-14(2,3)16-13(17)10-7-11-5-8-12(15)9-6-11/h5-10H,4H2,1-3H3,(H,16,17)/b10-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 235.30 g/mol, XLogP of 3.14, 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-(2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 39902992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).