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

C17H23IN2O — CID 61233054

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(I)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H23IN2O/c1-2-9-20(16-10-14-7-8-15(11-16)19-14)17(21)12-3-5-13(18)6-4-12/h3-6,14-16,19H,2,7-11H2,1H3
InChIKeyFDNDMSLFWQEEND-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.43
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide (PubChem CID 61233054) has the molecular formula C17H23IN2O and a molecular weight of 398.29 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
PubChem CID61233054
Molecular FormulaC17H23IN2O
Molecular Weight398.29 g/mol
Exact Mass398.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(I)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H23IN2O/c1-2-9-20(16-10-14-7-8-15(11-16)19-14)17(21)12-3-5-13(18)6-4-12/h3-6,14-16,19H,2,7-11H2,1H3
InChIKeyFDNDMSLFWQEEND-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.43
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-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
CID 61232091
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 61230946
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide (CID 61233054) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide is CCCN(C(=O)c1ccc(I)cc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide?
The InChIKey is FDNDMSLFWQEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IN2O/c1-2-9-20(16-10-14-7-8-15(11-16)19-14)17(21)12-3-5-13(18)6-4-12/h3-6,14-16,19H,2,7-11H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide has a molecular weight of 398.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide is sourced from PubChem (CID 61233054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).