(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide

C13H16FNO — CID 923522

IUPAC(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-13(2,3)15-12(16)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3,(H,15,16)/b9-6+
InChIKeyFFFTTZCVHCSIFU-RMKNXTFCSA-N
MW221.28 g/mol
LogP2.75
Rot. Bonds2

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

(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 923522) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
PubChem CID923522
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-13(2,3)15-12(16)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3,(H,15,16)/b9-6+
InChIKeyFFFTTZCVHCSIFU-RMKNXTFCSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.75
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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Related Compounds

1-tert-butyl-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea
CID 9425511
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 76988226
3,3,3-trifluoro-2-[3-(4-fluorophenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 79791686
methyl 4-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]benzoate
CID 7987964
(E)-3-(4-fluorophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-enamide
CID 103890819
3-(4-fluorophenyl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056546
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
N-tert-butyl-2-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]benzamide
CID 4936582
[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 9084038
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-N-(2-tert-butylsulfonylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75407386
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide (CID 923522) is (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide is CC(C)(C)NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is FFFTTZCVHCSIFU-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2,3)15-12(16)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3,(H,15,16)/b9-6+.
What are the key properties of (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 221.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 923522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).