(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide

C11H13IN2O — CID 28881297

IUPAC(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)[C@H]1CCCN1
InChIInChI=1S/C11H13IN2O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15)/t10-/m1/s1
InChIKeyYQYNQDOMHGOMIQ-SNVBAGLBSA-N
MW316.14 g/mol
LogP1.98
Rot. Bonds2

About (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide

(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide (PubChem CID 28881297) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
PubChem CID28881297
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Name(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)[C@H]1CCCN1
InChIInChI=1S/C11H13IN2O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15)/t10-/m1/s1
InChIKeyYQYNQDOMHGOMIQ-SNVBAGLBSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.98
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

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide (CID 28881297) is (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(I)cc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
The InChIKey is YQYNQDOMHGOMIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13IN2O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide has a molecular weight of 316.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 28881297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).