2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide

C25H19FN2O2 — CID 78319228

IUPAC2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(C(=O)/C=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H19FN2O2/c26-20-11-8-17(9-12-20)14-25(30)28-21-5-3-4-18(15-21)24(29)13-10-19-16-27-23-7-2-1-6-22(19)23/h1-13,15-16,27H,14H2,(H,28,30)/b13-10+
InChIKeyWGATWYPPYHXZEI-JLHYYAGUSA-N
MW398.44 g/mol
LogP5.38
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide

2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide (PubChem CID 78319228) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
PubChem CID78319228
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(C(=O)/C=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H19FN2O2/c26-20-11-8-17(9-12-20)14-25(30)28-21-5-3-4-18(15-21)24(29)13-10-19-16-27-23-7-2-1-6-22(19)23/h1-13,15-16,27H,14H2,(H,28,30)/b13-10+
InChIKeyWGATWYPPYHXZEI-JLHYYAGUSA-N
XLogP5.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 78319230
N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 78319229
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
CID 135569761
tert-butyl 2-[3-[3-(1H-indol-3-yl)prop-2-enoyl]phenoxy]acetate
CID 66704709
3-[5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid
CID 69011596
2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 111393023

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide (CID 78319228) is 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(C(=O)/C=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is WGATWYPPYHXZEI-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-20-11-8-17(9-12-20)14-25(30)28-21-5-3-4-18(15-21)24(29)13-10-19-16-27-23-7-2-1-6-22(19)23/h1-13,15-16,27H,14H2,(H,28,30)/b13-10+.
What are the key properties of 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 78319228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).