(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

C23H15FN2O3 — CID 56507958

IUPAC(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H15FN2O3/c24-16-11-8-15(9-12-16)10-13-21(27)25-17-4-3-5-18(14-17)26-22(28)19-6-1-2-7-20(19)23(26)29/h1-14H,(H,25,27)/b13-10+
InChIKeyJHNOVNZSMQZLJO-JLHYYAGUSA-N
MW386.38 g/mol
LogP4.28
Rot. Bonds4

About (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 56507958) has the molecular formula C23H15FN2O3 and a molecular weight of 386.38 g/mol. Its IUPAC name is (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID56507958
Molecular FormulaC23H15FN2O3
Molecular Weight386.38 g/mol
Exact Mass386.11
IUPAC Name(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H15FN2O3/c24-16-11-8-15(9-12-16)10-13-21(27)25-17-4-3-5-18(14-17)26-22(28)19-6-1-2-7-20(19)23(26)29/h1-14H,(H,25,27)/b13-10+
InChIKeyJHNOVNZSMQZLJO-JLHYYAGUSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,6-difluorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]prop-2-enamide
CID 56507424
(E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 6128442
(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 56507188
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
(E)-3-(4-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 38032223
(E)-N-(1,3-dioxoisoindol-5-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17172115
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 26158897
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
1,3-dioxo-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-2-[3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
CID 6072018

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 56507958) is (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is JHNOVNZSMQZLJO-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H15FN2O3/c24-16-11-8-15(9-12-16)10-13-21(27)25-17-4-3-5-18(14-17)26-22(28)19-6-1-2-7-20(19)23(26)29/h1-14H,(H,25,27)/b13-10+.
What are the key properties of (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 386.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 56507958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).