2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide

C21H19FN2O4 — CID 147272202

IUPAC2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C21H19FN2O4/c22-16-6-1-14(2-7-16)3-10-19(25)15-4-8-17(9-5-15)23-13-20(26)24-18-11-12-28-21(18)27/h1-10,18,23H,11-13H2,(H,24,26)/b10-3+/t18-/m0/s1
InChIKeyCQQOXKGGUBGAMK-IZHJOOQXSA-N
MW382.39 g/mol
LogP2.57
Rot. Bonds7

About 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 147272202) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID147272202
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CNc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C21H19FN2O4/c22-16-6-1-14(2-7-16)3-10-19(25)15-4-8-17(9-5-15)23-13-20(26)24-18-11-12-28-21(18)27/h1-10,18,23H,11-13H2,(H,24,26)/b10-3+/t18-/m0/s1
InChIKeyCQQOXKGGUBGAMK-IZHJOOQXSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 147272202) is 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(CNc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is CQQOXKGGUBGAMK-IZHJOOQXSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-16-6-1-14(2-7-16)3-10-19(25)15-4-8-17(9-5-15)23-13-20(26)24-18-11-12-28-21(18)27/h1-10,18,23H,11-13H2,(H,24,26)/b10-3+/t18-/m0/s1.
What are the key properties of 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 382.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino]-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 147272202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).