(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide

C20H22FNO — CID 94016193

IUPAC(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide
SMILESCC(C)C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H22FNO/c1-15(2)14-19(17-6-4-3-5-7-17)22-20(23)13-10-16-8-11-18(21)12-9-16/h3-13,15,19H,14H2,1-2H3,(H,22,23)/b13-10+/t19-/m1/s1
InChIKeyUCCCWEMVBZGUIC-YFPIXMDGSA-N
MW311.40 g/mol
LogP4.74
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide (PubChem CID 94016193) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide
PubChem CID94016193
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide
SMILESCC(C)C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H22FNO/c1-15(2)14-19(17-6-4-3-5-7-17)22-20(23)13-10-16-8-11-18(21)12-9-16/h3-13,15,19H,14H2,1-2H3,(H,22,23)/b13-10+/t19-/m1/s1
InChIKeyUCCCWEMVBZGUIC-YFPIXMDGSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-fluorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016192
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962
(E)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylprop-2-enamide
CID 28576382
(E)-3-(4-fluorophenyl)-N-(1-phenylethylcarbamothioyl)prop-2-enamide
CID 6308141
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
(3S)-N-[(2S)-1-(2,5-dihydroxy-4-methyl-1H-pyrrol-3-yl)-3-methyl-1-oxobutan-2-yl]-3-[3-(4-fluorophenyl)prop-2-enoylamino]-3-phenylpropanamide
CID 136654719
(E)-3-(4-chlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]prop-2-enamide
CID 28579102
(3S)-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
CID 59752740
(E)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
(E)-N-(3-methyl-1-phenylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16600272
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide (CID 94016193) is (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide is CC(C)C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide?
The InChIKey is UCCCWEMVBZGUIC-YFPIXMDGSA-N. The full InChI is InChI=1S/C20H22FNO/c1-15(2)14-19(17-6-4-3-5-7-17)22-20(23)13-10-16-8-11-18(21)12-9-16/h3-13,15,19H,14H2,1-2H3,(H,22,23)/b13-10+/t19-/m1/s1.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide has a molecular weight of 311.40 g/mol, XLogP of 4.74, 6 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-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide is sourced from PubChem (CID 94016193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).