N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide

C19H19FIN3O2 — CID 27849909

IUPACN-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(I)c2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FIN3O2/c20-15-4-6-17(7-5-15)22-18(25)13-23-8-10-24(11-9-23)19(26)14-2-1-3-16(21)12-14/h1-7,12H,8-11,13H2,(H,22,25)
InChIKeyDXXVSHHELAOACM-UHFFFAOYSA-N
MW467.28 g/mol
LogP2.83
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide (PubChem CID 27849909) has the molecular formula C19H19FIN3O2 and a molecular weight of 467.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
PubChem CID27849909
Molecular FormulaC19H19FIN3O2
Molecular Weight467.28 g/mol
Exact Mass467.05
IUPAC NameN-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(I)c2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FIN3O2/c20-15-4-6-17(7-5-15)22-18(25)13-23-8-10-24(11-9-23)19(26)14-2-1-3-16(21)12-14/h1-7,12H,8-11,13H2,(H,22,25)
InChIKeyDXXVSHHELAOACM-UHFFFAOYSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]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

N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9022059
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021871
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 43017477
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide (CID 27849909) is N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccc(I)c2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is DXXVSHHELAOACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FIN3O2/c20-15-4-6-17(7-5-15)22-18(25)13-23-8-10-24(11-9-23)19(26)14-2-1-3-16(21)12-14/h1-7,12H,8-11,13H2,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 467.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27849909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).