(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C19H17FN2O2 — CID 26955361

IUPAC(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C19H17FN2O2/c20-15-6-3-5-14(13-15)10-11-18(23)21-16-7-1-2-8-17(16)22-12-4-9-19(22)24/h1-3,5-8,10-11,13H,4,9,12H2,(H,21,23)/b11-10+
InChIKeyQFVHOSFOETZBHM-ZHACJKMWSA-N
MW324.36 g/mol
LogP3.60
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 26955361) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID26955361
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C19H17FN2O2/c20-15-6-3-5-14(13-15)10-11-18(23)21-16-7-1-2-8-17(16)22-12-4-9-19(22)24/h1-3,5-8,10-11,13H,4,9,12H2,(H,21,23)/b11-10+
InChIKeyQFVHOSFOETZBHM-ZHACJKMWSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17450171
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955538
N-(2-acetamido-4,5-difluorophenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 76879492
(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26955793
(E)-N-(2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17439134
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 120757093
(E)-3-(3-fluorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]prop-2-enamide
CID 16623249
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24516163
(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55675011
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
(Z)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 20833523
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 26955361) is (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is QFVHOSFOETZBHM-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-6-3-5-14(13-15)10-11-18(23)21-16-7-1-2-8-17(16)22-12-4-9-19(22)24/h1-3,5-8,10-11,13H,4,9,12H2,(H,21,23)/b11-10+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 324.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 26955361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).