1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide

C13H15IN2O2 — CID 114082011

IUPAC1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2ccccc2I)C1
InChIInChI=1S/C13H15IN2O2/c1-13(12(15)18)6-7-16(8-13)11(17)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H2,15,18)
InChIKeyFHWANAAAXSVMCW-UHFFFAOYSA-N
MW358.18 g/mol
LogP1.63
Rot. Bonds2

About 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide

1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 114082011) has the molecular formula C13H15IN2O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID114082011
Molecular FormulaC13H15IN2O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2ccccc2I)C1
InChIInChI=1S/C13H15IN2O2/c1-13(12(15)18)6-7-16(8-13)11(17)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H2,15,18)
InChIKeyFHWANAAAXSVMCW-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.63
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

(3-amino-3-methylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 166240256
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114082421
1-(4-bromo-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 114082008
1-(5-chloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 113263393
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017
1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 136539136
(2S)-2-amino-1-[4-(2-iodobenzoyl)piperazin-1-yl]propan-1-one
CID 119299649
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
CID 10881534

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide (CID 114082011) is 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(C(=O)c2ccccc2I)C1.
What is the InChIKey of 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is FHWANAAAXSVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O2/c1-13(12(15)18)6-7-16(8-13)11(17)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H2,15,18).
What are the key properties of 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide?
1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 358.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114082011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).