5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide

C14H18BrIN2O — CID 113240326

IUPAC5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
SMILESCCN1CCCC(NC(=O)c2cc(Br)ccc2I)C1
InChIInChI=1S/C14H18BrIN2O/c1-2-18-7-3-4-11(9-18)17-14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyFRXHQTTWZQCNDZ-UHFFFAOYSA-N
MW437.12 g/mol
LogP3.27
Rot. Bonds3

About 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide

5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide (PubChem CID 113240326) has the molecular formula C14H18BrIN2O and a molecular weight of 437.12 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
PubChem CID113240326
Molecular FormulaC14H18BrIN2O
Molecular Weight437.12 g/mol
Exact Mass435.96
IUPAC Name5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
SMILESCCN1CCCC(NC(=O)c2cc(Br)ccc2I)C1
InChIInChI=1S/C14H18BrIN2O/c1-2-18-7-3-4-11(9-18)17-14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyFRXHQTTWZQCNDZ-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.12
LogP ≤ 53.27
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

3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide (CID 113240326) is 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide is CCN1CCCC(NC(=O)c2cc(Br)ccc2I)C1.
What is the InChIKey of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide?
The InChIKey is FRXHQTTWZQCNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrIN2O/c1-2-18-7-3-4-11(9-18)17-14(19)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide?
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide has a molecular weight of 437.12 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide is sourced from PubChem (CID 113240326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).