N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide

C17H24FIN2O3 — CID 23276511

IUPACN-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
SMILESCOc1cc(I)cc(C(=O)NCC2CCCN2CCCF)c1OC
InChIInChI=1S/C17H24FIN2O3/c1-23-15-10-12(19)9-14(16(15)24-2)17(22)20-11-13-5-3-7-21(13)8-4-6-18/h9-10,13H,3-8,11H2,1-2H3,(H,20,22)
InChIKeyAODFSZZCMKDUEK-UHFFFAOYSA-N
MW450.29 g/mol
LogP2.86
Rot. Bonds8

About N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide

N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide (PubChem CID 23276511) has the molecular formula C17H24FIN2O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
PubChem CID23276511
Molecular FormulaC17H24FIN2O3
Molecular Weight450.29 g/mol
Exact Mass450.08
IUPAC NameN-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
SMILESCOc1cc(I)cc(C(=O)NCC2CCCN2CCCF)c1OC
InChIInChI=1S/C17H24FIN2O3/c1-23-15-10-12(19)9-14(16(15)24-2)17(22)20-11-13-5-3-7-21(13)8-4-6-18/h9-10,13H,3-8,11H2,1-2H3,(H,20,22)
InChIKeyAODFSZZCMKDUEK-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
CID 175104597
2,3-dimethoxy-N-[[(2R)-1-propylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 172640676
5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 11741085
2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide
CID 76969232
2,3-dimethoxy-N-[[(2R)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 969473
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
CID 14528112
4-bromo-N-[(1-butylpyrrolidin-2-yl)methyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
CID 18983061
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide
CID 139754115

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide?
The IUPAC name of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide (CID 23276511) is N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide is COc1cc(I)cc(C(=O)NCC2CCCN2CCCF)c1OC.
What is the InChIKey of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide?
The InChIKey is AODFSZZCMKDUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FIN2O3/c1-23-15-10-12(19)9-14(16(15)24-2)17(22)20-11-13-5-3-7-21(13)8-4-6-18/h9-10,13H,3-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide?
N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide has a molecular weight of 450.29 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide is sourced from PubChem (CID 23276511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).