N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide

C12H15IN2O2 — CID 61214459

IUPACN-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C12H15IN2O2/c1-17-10-6-11(14-7-10)12(16)15-9-4-2-3-8(13)5-9/h2-5,10-11,14H,6-7H2,1H3,(H,15,16)
InChIKeyAHTFSZLOVLONGS-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.61
Rot. Bonds3

About N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide

N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214459) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214459
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC NameN-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C12H15IN2O2/c1-17-10-6-11(14-7-10)12(16)15-9-4-2-3-8(13)5-9/h2-5,10-11,14H,6-7H2,1H3,(H,15,16)
InChIKeyAHTFSZLOVLONGS-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213602
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
N-(3-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 82864769
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
CID 68643691

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214459) is N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cccc(I)c2)C1.
What is the InChIKey of N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is AHTFSZLOVLONGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-17-10-6-11(14-7-10)12(16)15-9-4-2-3-8(13)5-9/h2-5,10-11,14H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 346.17 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).