5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide

C14H19IN2O3 — CID 11741085

IUPAC5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
SMILESCOc1cc(I)cc(C(=O)NC[C@H]2CCCN2)c1OC
InChIInChI=1S/C14H19IN2O3/c1-19-12-7-9(15)6-11(13(12)20-2)14(18)17-8-10-4-3-5-16-10/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyMCIOGCRYTUVGLE-SNVBAGLBSA-N
MW390.22 g/mol
LogP1.79
Rot. Bonds5

About 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide

5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide (PubChem CID 11741085) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
PubChem CID11741085
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC Name5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
SMILESCOc1cc(I)cc(C(=O)NC[C@H]2CCCN2)c1OC
InChIInChI=1S/C14H19IN2O3/c1-19-12-7-9(15)6-11(13(12)20-2)14(18)17-8-10-4-3-5-16-10/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyMCIOGCRYTUVGLE-SNVBAGLBSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
CID 23276511
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119510965
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 119511764
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510964
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide (CID 11741085) is 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide is COc1cc(I)cc(C(=O)NC[C@H]2CCCN2)c1OC.
What is the InChIKey of 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is MCIOGCRYTUVGLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19IN2O3/c1-19-12-7-9(15)6-11(13(12)20-2)14(18)17-8-10-4-3-5-16-10/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 390.22 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 11741085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).