N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide

C18H19ClIN3O — CID 26900822

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C18H19ClIN3O/c1-22-8-10-23(11-9-22)17-7-6-13(19)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyUYEYIGAFHBPSBO-UHFFFAOYSA-N
MW455.73 g/mol
LogP3.95
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide (PubChem CID 26900822) has the molecular formula C18H19ClIN3O and a molecular weight of 455.73 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
PubChem CID26900822
Molecular FormulaC18H19ClIN3O
Molecular Weight455.73 g/mol
Exact Mass455.03
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C18H19ClIN3O/c1-22-8-10-23(11-9-22)17-7-6-13(19)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyUYEYIGAFHBPSBO-UHFFFAOYSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.73
LogP ≤ 53.95
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

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
CID 38917765
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 35355077
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 35355020
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-nitro-2-phenylsulfanylbenzamide
CID 4876103
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide (CID 26900822) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2I)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide?
The InChIKey is UYEYIGAFHBPSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClIN3O/c1-22-8-10-23(11-9-22)17-7-6-13(19)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide has a molecular weight of 455.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 26900822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).