N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide

C28H24FN3O2 — CID 155663458

IUPACN-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide
SMILESC=C1C(=O)N(CCc2c[nH]c3ccccc23)C1(C(=O)NCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C28H24FN3O2/c1-19-26(33)32(15-14-21-18-30-25-13-6-5-12-24(21)25)28(19,22-9-3-2-4-10-22)27(34)31-17-20-8-7-11-23(29)16-20/h2-13,16,18,30H,1,14-15,17H2,(H,31,34)
InChIKeyIGWUMLOJMKGLAS-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.46
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide

N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide (PubChem CID 155663458) has the molecular formula C28H24FN3O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide
PubChem CID155663458
Molecular FormulaC28H24FN3O2
Molecular Weight453.52 g/mol
Exact Mass453.19
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide
SMILESC=C1C(=O)N(CCc2c[nH]c3ccccc23)C1(C(=O)NCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C28H24FN3O2/c1-19-26(33)32(15-14-21-18-30-25-13-6-5-12-24(21)25)28(19,22-9-3-2-4-10-22)27(34)31-17-20-8-7-11-23(29)16-20/h2-13,16,18,30H,1,14-15,17H2,(H,31,34)
InChIKeyIGWUMLOJMKGLAS-UHFFFAOYSA-N
XLogP4.46
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide 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

2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361539
(2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 981224
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
CID 17038258
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
[2-[[(3-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42832134
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 42725647

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide (CID 155663458) is N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide is C=C1C(=O)N(CCc2c[nH]c3ccccc23)C1(C(=O)NCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide?
The InChIKey is IGWUMLOJMKGLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O2/c1-19-26(33)32(15-14-21-18-30-25-13-6-5-12-24(21)25)28(19,22-9-3-2-4-10-22)27(34)31-17-20-8-7-11-23(29)16-20/h2-13,16,18,30H,1,14-15,17H2,(H,31,34).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide is sourced from PubChem (CID 155663458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).