5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride

C12H15Cl2IN2O — CID 119387157

IUPAC5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H14ClIN2O.ClH/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2,(H,16,17);1H
InChIKeyWTDBHWMTAYORQZ-UHFFFAOYSA-N
MW401.08 g/mol
LogP2.85
Rot. Bonds2

About 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride

5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119387157) has the molecular formula C12H15Cl2IN2O and a molecular weight of 401.08 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119387157
Molecular FormulaC12H15Cl2IN2O
Molecular Weight401.08 g/mol
Exact Mass399.96
IUPAC Name5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H14ClIN2O.ClH/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2,(H,16,17);1H
InChIKeyWTDBHWMTAYORQZ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
CID 47219742
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
CID 104693585
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride (CID 119387157) is 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is WTDBHWMTAYORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O.ClH/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2,(H,16,17);1H.
What are the key properties of 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride?
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 401.08 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119387157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).