2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide

C26H19FN4O3 — CID 5000096

IUPAC2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C26H19FN4O3/c27-21-11-5-6-12-22(21)28-24(32)16-30-15-17(19-10-4-7-13-23(19)30)14-20-25(33)29-31(26(20)34)18-8-2-1-3-9-18/h1-15H,16H2,(H,28,32)(H,29,33)
InChIKeyHRFWKFMLRCQYPB-UHFFFAOYSA-N
MW454.46 g/mol
LogP3.88
Rot. Bonds5

About 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 5000096) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID5000096
Molecular FormulaC26H19FN4O3
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C26H19FN4O3/c27-21-11-5-6-12-22(21)28-24(32)16-30-15-17(19-10-4-7-13-23(19)30)14-20-25(33)29-31(26(20)34)18-8-2-1-3-9-18/h1-15H,16H2,(H,28,32)(H,29,33)
InChIKeyHRFWKFMLRCQYPB-UHFFFAOYSA-N
XLogP3.88
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-[3-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]acetate
CID 92517108
2-[3-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
CID 126207203
2-[3-[[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-phenylacetamide
CID 1366595
2-[3-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-phenylacetamide
CID 1366303
4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 1190981
2-[3-[[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-phenylacetamide
CID 2883553
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
3-[5-[[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid
CID 4593790
(4Z)-4-[[1-(2-methyl-3-phenoxypropyl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione;hydrochloride
CID 163325901
2-[3-[(E)-(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 126396978
2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]-N-(2-fluorophenyl)acetamide
CID 126405459
2-[3-[(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126387114

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide (CID 5000096) is 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1F.
What is the InChIKey of 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is HRFWKFMLRCQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3/c27-21-11-5-6-12-22(21)28-24(32)16-30-15-17(19-10-4-7-13-23(19)30)14-20-25(33)29-31(26(20)34)18-8-2-1-3-9-18/h1-15H,16H2,(H,28,32)(H,29,33).
What are the key properties of 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 454.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 5000096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).