N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide

C15H21IN2O2 — CID 3082754

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(I)ccc1OC
InChIInChI=1S/C15H21IN2O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyJHMTYLJMPBFCTD-GFCCVEGCSA-N
MW388.25 g/mol
LogP2.51
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide (PubChem CID 3082754) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide
PubChem CID3082754
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(I)ccc1OC
InChIInChI=1S/C15H21IN2O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyJHMTYLJMPBFCTD-GFCCVEGCSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide (CID 3082754) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide is CCN1CCC[C@@H]1CNC(=O)c1cc(I)ccc1OC.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide?
The InChIKey is JHMTYLJMPBFCTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide has a molecular weight of 388.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2-methoxybenzamide is sourced from PubChem (CID 3082754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).