N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide

C19H19Cl2IN2O — CID 26691477

IUPACN-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C19H19Cl2IN2O/c20-14-10-16(18(22)17(21)11-14)19(25)23-15-6-8-24(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2,(H,23,25)
InChIKeyYHDOLLMIGKNZAX-UHFFFAOYSA-N
MW489.18 g/mol
LogP4.99
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide

N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide (PubChem CID 26691477) has the molecular formula C19H19Cl2IN2O and a molecular weight of 489.18 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
PubChem CID26691477
Molecular FormulaC19H19Cl2IN2O
Molecular Weight489.18 g/mol
Exact Mass487.99
IUPAC NameN-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C19H19Cl2IN2O/c20-14-10-16(18(22)17(21)11-14)19(25)23-15-6-8-24(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2,(H,23,25)
InChIKeyYHDOLLMIGKNZAX-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.18
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-2-chlorobenzamide
CID 17176573
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4-dichlorophenyl)sulfanyl-1H-indole-2-carboxamide
CID 147005867

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide (CID 26691477) is N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide?
The InChIKey is YHDOLLMIGKNZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2IN2O/c20-14-10-16(18(22)17(21)11-14)19(25)23-15-6-8-24(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide?
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide has a molecular weight of 489.18 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide is sourced from PubChem (CID 26691477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).