5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide

C14H18ClIN2O — CID 103806067

IUPAC5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1I)C1CCCNC1
InChIInChI=1S/C14H18ClIN2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyUYRQPYBHWOGOGP-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide

5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide (PubChem CID 103806067) has the molecular formula C14H18ClIN2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
PubChem CID103806067
Molecular FormulaC14H18ClIN2O
Molecular Weight392.67 g/mol
Exact Mass392.02
IUPAC Name5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1I)C1CCCNC1
InChIInChI=1S/C14H18ClIN2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyUYRQPYBHWOGOGP-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.06
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-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
3-chloro-5-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 81322966
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide (CID 103806067) is 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide is CC(NC(=O)c1cc(Cl)ccc1I)C1CCCNC1.
What is the InChIKey of 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide?
The InChIKey is UYRQPYBHWOGOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide?
5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide has a molecular weight of 392.67 g/mol, XLogP of 3.06, 3 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-(1-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 103806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).