(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone

C11H12FIN2O — CID 103806148

IUPAC(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C11H12FIN2O/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2
InChIKeyZULOYHBRYYTYGT-UHFFFAOYSA-N
MW334.13 g/mol
LogP1.60
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone

(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone (PubChem CID 103806148) has the molecular formula C11H12FIN2O and a molecular weight of 334.13 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
PubChem CID103806148
Molecular FormulaC11H12FIN2O
Molecular Weight334.13 g/mol
Exact Mass334.00
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C11H12FIN2O/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2
InChIKeyZULOYHBRYYTYGT-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 51.60
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-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 95700358
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
[(3S)-3-aminopyrrolidin-1-yl]-(4-fluoro-2-nitrophenyl)methanone;hydrochloride
CID 119934188
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[3-(dimethylamino)azetidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 172646725

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone (CID 103806148) is (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone is NC1CCN(C(=O)c2ccc(F)cc2I)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone?
The InChIKey is ZULOYHBRYYTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN2O/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone?
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone has a molecular weight of 334.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 103806148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).