(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

C17H16FNO — CID 9330259

IUPAC(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H16FNO/c1-13(15-7-3-2-4-8-15)19-17(20)11-10-14-6-5-9-16(18)12-14/h2-13H,1H3,(H,19,20)/b11-10+/t13-/m0/s1
InChIKeyHZCHZAULYVOJSI-NHAQELONSA-N
MW269.32 g/mol
LogP3.72
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide (PubChem CID 9330259) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
PubChem CID9330259
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H16FNO/c1-13(15-7-3-2-4-8-15)19-17(20)11-10-14-6-5-9-16(18)12-14/h2-13H,1H3,(H,19,20)/b11-10+/t13-/m0/s1
InChIKeyHZCHZAULYVOJSI-NHAQELONSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.72
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

3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
(2S,3R)-2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 93302646
(E)-3-(3-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473294
(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744300
(2R)-2-[3-(3-fluorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975626
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]butanoic acid
CID 43387222
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide (CID 9330259) is (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide is C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The InChIKey is HZCHZAULYVOJSI-NHAQELONSA-N. The full InChI is InChI=1S/C17H16FNO/c1-13(15-7-3-2-4-8-15)19-17(20)11-10-14-6-5-9-16(18)12-14/h2-13H,1H3,(H,19,20)/b11-10+/t13-/m0/s1.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide has a molecular weight of 269.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 9330259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).