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

C24H24IN3O — CID 2945842

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1I
InChIInChI=1S/C24H24IN3O/c25-23-9-5-4-8-22(23)24(29)26-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,29)
InChIKeyBOWDBMZLEJJNQG-UHFFFAOYSA-N
MW497.38 g/mol
LogP4.87
Rot. Bonds5

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

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide (PubChem CID 2945842) has the molecular formula C24H24IN3O and a molecular weight of 497.38 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
PubChem CID2945842
Molecular FormulaC24H24IN3O
Molecular Weight497.38 g/mol
Exact Mass497.10
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1I
InChIInChI=1S/C24H24IN3O/c25-23-9-5-4-8-22(23)24(29)26-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,29)
InChIKeyBOWDBMZLEJJNQG-UHFFFAOYSA-N
XLogP4.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide
CID 141188313
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
2-[4-[4-[(2-iodobenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetic acid
CID 22499405
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-iodobenzamide
CID 17358702
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-phenyl-5-(trifluoromethyl)benzamide
CID 160823841
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-chlorobenzoate
CID 46508962
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide (CID 2945842) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide is O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1I.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide?
The InChIKey is BOWDBMZLEJJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN3O/c25-23-9-5-4-8-22(23)24(29)26-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,29).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide has a molecular weight of 497.38 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 2945842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).