N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C26H19F2N3O3 — CID 110563725

IUPACN-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C26H19F2N3O3/c1-15(32)29-18-8-6-17(7-9-18)23-24(30-13-12-16-4-2-3-5-22(16)30)26(34)31(25(23)33)19-10-11-20(27)21(28)14-19/h2-11,14H,12-13H2,1H3,(H,29,32)
InChIKeyAWAVJPWGKJAMPU-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.27
Rot. Bonds4

About N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110563725) has the molecular formula C26H19F2N3O3 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110563725
Molecular FormulaC26H19F2N3O3
Molecular Weight459.45 g/mol
Exact Mass459.14
IUPAC NameN-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C26H19F2N3O3/c1-15(32)29-18-8-6-17(7-9-18)23-24(30-13-12-16-4-2-3-5-22(16)30)26(34)31(25(23)33)19-10-11-20(27)21(28)14-19/h2-11,14H,12-13H2,1H3,(H,29,32)
InChIKeyAWAVJPWGKJAMPU-UHFFFAOYSA-N
XLogP4.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562035
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562986
1-(3,5-dichlorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544782
N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562565
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110570379
1-(2,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545995
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573345
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543134
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
1-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545150
1-(3-bromophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573315
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110563725) is N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1.
What is the InChIKey of N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is AWAVJPWGKJAMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O3/c1-15(32)29-18-8-6-17(7-9-18)23-24(30-13-12-16-4-2-3-5-22(16)30)26(34)31(25(23)33)19-10-11-20(27)21(28)14-19/h2-11,14H,12-13H2,1H3,(H,29,32).
What are the key properties of N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 459.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-difluorophenyl)-4-(2,3-dihydroindol-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).