3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide

C14H17IN2O2 — CID 59282800

IUPAC3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H17IN2O2/c1-10-4-3-7-17(10)13(18)9-16-14(19)11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyFZIKUUWVJOUUGJ-SNVBAGLBSA-N
MW372.21 g/mol
LogP2.03
Rot. Bonds3

About 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide

3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 59282800) has the molecular formula C14H17IN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID59282800
Molecular FormulaC14H17IN2O2
Molecular Weight372.21 g/mol
Exact Mass372.03
IUPAC Name3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C14H17IN2O2/c1-10-4-3-7-17(10)13(18)9-16-14(19)11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyFZIKUUWVJOUUGJ-SNVBAGLBSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 52.03
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-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 59282776
4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 168988063
9,9-dimethyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 169197880
9,9-difluoro-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 170299334
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320566
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-bromobenzamide
CID 119631869

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 59282800) is 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide is C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is FZIKUUWVJOUUGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17IN2O2/c1-10-4-3-7-17(10)13(18)9-16-14(19)11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide?
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 372.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59282800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).