(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide

C20H18FN3O3 — CID 9293770

IUPAC(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)/C=C/c2cccc(F)c2)C1=O
InChIInChI=1S/C20H18FN3O3/c1-2-20(15-8-4-3-5-9-15)18(26)24(19(27)22-20)23-17(25)12-11-14-7-6-10-16(21)13-14/h3-13H,2H2,1H3,(H,22,27)(H,23,25)/b12-11+/t20-/m0/s1
InChIKeyAOPKBNMXNDXSMT-SGWGQVFISA-N
MW367.38 g/mol
LogP2.73
Rot. Bonds5

About (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 9293770) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID9293770
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)/C=C/c2cccc(F)c2)C1=O
InChIInChI=1S/C20H18FN3O3/c1-2-20(15-8-4-3-5-9-15)18(26)24(19(27)22-20)23-17(25)12-11-14-7-6-10-16(21)13-14/h3-13H,2H2,1H3,(H,22,27)(H,23,25)/b12-11+/t20-/m0/s1
InChIKeyAOPKBNMXNDXSMT-SGWGQVFISA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide (CID 9293770) is (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)/C=C/c2cccc(F)c2)C1=O.
What is the InChIKey of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is AOPKBNMXNDXSMT-SGWGQVFISA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-20(15-8-4-3-5-9-15)18(26)24(19(27)22-20)23-17(25)12-11-14-7-6-10-16(21)13-14/h3-13H,2H2,1H3,(H,22,27)(H,23,25)/b12-11+/t20-/m0/s1.
What are the key properties of (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 367.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 9293770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).