4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

C16H21IN2O — CID 61074514

IUPAC4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1ccc(I)cc1)C2
InChIInChI=1S/C16H21IN2O/c1-19-14-6-7-15(19)9-11(8-14)10-18-16(20)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,18,20)
InChIKeyCDJOZGLCJQKEIB-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.89
Rot. Bonds3

About 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (PubChem CID 61074514) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
PubChem CID61074514
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1ccc(I)cc1)C2
InChIInChI=1S/C16H21IN2O/c1-19-14-6-7-15(19)9-11(8-14)10-18-16(20)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,18,20)
InChIKeyCDJOZGLCJQKEIB-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.89
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

4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61053293
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61017183
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
CID 61013401
N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
CID 70238920
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The IUPAC name of 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (CID 61074514) is 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The canonical SMILES for 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is CN1C2CCC1CC(CNC(=O)c1ccc(I)cc1)C2.
What is the InChIKey of 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The InChIKey is CDJOZGLCJQKEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O/c1-19-14-6-7-15(19)9-11(8-14)10-18-16(20)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,18,20).
What are the key properties of 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide has a molecular weight of 384.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is sourced from PubChem (CID 61074514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).