3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C18H18Cl2IN3O — CID 16557452

IUPAC3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2I)CC1
InChIInChI=1S/C18H18Cl2IN3O/c1-23-6-8-24(9-7-23)16-5-3-2-4-15(16)22-18(25)13-10-12(19)11-14(20)17(13)21/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyXFQZFPTUWNNXNU-UHFFFAOYSA-N
MW490.17 g/mol
LogP4.60
Rot. Bonds3

About 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 16557452) has the molecular formula C18H18Cl2IN3O and a molecular weight of 490.17 g/mol. Its IUPAC name is 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID16557452
Molecular FormulaC18H18Cl2IN3O
Molecular Weight490.17 g/mol
Exact Mass488.99
IUPAC Name3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2I)CC1
InChIInChI=1S/C18H18Cl2IN3O/c1-23-6-8-24(9-7-23)16-5-3-2-4-15(16)22-18(25)13-10-12(19)11-14(20)17(13)21/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyXFQZFPTUWNNXNU-UHFFFAOYSA-N
XLogP4.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.17
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
CID 38917765
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 3966060
3-(3,5-dichloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 3543434

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 16557452) is 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2I)CC1.
What is the InChIKey of 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is XFQZFPTUWNNXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2IN3O/c1-23-6-8-24(9-7-23)16-5-3-2-4-15(16)22-18(25)13-10-12(19)11-14(20)17(13)21/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 490.17 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 16557452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).