N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide

C14H19IN2O — CID 8839724

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O/c1-2-17-8-4-7-13(17)10-16-14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyOGKGPIBUYUITOQ-CYBMUJFWSA-N
MW358.22 g/mol
LogP2.51
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide (PubChem CID 8839724) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
PubChem CID8839724
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O/c1-2-17-8-4-7-13(17)10-16-14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyOGKGPIBUYUITOQ-CYBMUJFWSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.51
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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
CID 126428928
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide
CID 125155907
4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
2-[(3-bromobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzamide
CID 112823876
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 94017091

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide (CID 8839724) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide is CCN1CCC[C@@H]1CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide?
The InChIKey is OGKGPIBUYUITOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-2-17-8-4-7-13(17)10-16-14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide has a molecular weight of 358.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide is sourced from PubChem (CID 8839724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).