5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide

C13H16ClIN2O — CID 47219742

IUPAC5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(Cl)ccc2I)CC1
InChIInChI=1S/C13H16ClIN2O/c1-17-6-4-10(5-7-17)16-13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3,(H,16,18)
InChIKeyPVTJVLXCSPXJBS-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide

5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 47219742) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID47219742
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC Name5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(Cl)ccc2I)CC1
InChIInChI=1S/C13H16ClIN2O/c1-17-6-4-10(5-7-17)16-13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3,(H,16,18)
InChIKeyPVTJVLXCSPXJBS-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
CID 104693585
5-chloro-2-hydrazinyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 62249311
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
CID 38911122
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide (CID 47219742) is 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2cc(Cl)ccc2I)CC1.
What is the InChIKey of 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is PVTJVLXCSPXJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-17-6-4-10(5-7-17)16-13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3,(H,16,18).
What are the key properties of 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide?
5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 378.64 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 47219742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).