2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide

C13H17IN2O — CID 67166754

IUPAC2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(I)cc1)NC[C@H]1CCCN1
InChIInChI=1S/C13H17IN2O/c14-11-5-3-10(4-6-11)8-13(17)16-9-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)/t12-/m1/s1
InChIKeyCKUADLOXFMFCKW-GFCCVEGCSA-N
MW344.20 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide

2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 67166754) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID67166754
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(I)cc1)NC[C@H]1CCCN1
InChIInChI=1S/C13H17IN2O/c14-11-5-3-10(4-6-11)8-13(17)16-9-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)/t12-/m1/s1
InChIKeyCKUADLOXFMFCKW-GFCCVEGCSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514046
2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511600
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide (CID 67166754) is 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide is O=C(Cc1ccc(I)cc1)NC[C@H]1CCCN1.
What is the InChIKey of 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is CKUADLOXFMFCKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17IN2O/c14-11-5-3-10(4-6-11)8-13(17)16-9-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)/t12-/m1/s1.
What are the key properties of 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 344.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 67166754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).