N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide

C19H20IN3O2 — CID 2976682

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C19H20IN3O2/c1-14(24)22-9-11-23(12-10-22)18-8-3-2-7-17(18)21-19(25)15-5-4-6-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyRTNXRRHJYCJASG-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide (PubChem CID 2976682) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
PubChem CID2976682
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C19H20IN3O2/c1-14(24)22-9-11-23(12-10-22)18-8-3-2-7-17(18)21-19(25)15-5-4-6-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyRTNXRRHJYCJASG-UHFFFAOYSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7345547

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide (CID 2976682) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide?
The InChIKey is RTNXRRHJYCJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2/c1-14(24)22-9-11-23(12-10-22)18-8-3-2-7-17(18)21-19(25)15-5-4-6-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide has a molecular weight of 449.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 2976682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).