(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone

C12H15FN2O — CID 60974941

IUPAC(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-3-2-6-15(8)12(16)10-7-9(14)4-5-11(10)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyFMOHVOHRKZRLHN-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.03
Rot. Bonds1

About (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone

(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 60974941) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID60974941
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-3-2-6-15(8)12(16)10-7-9(14)4-5-11(10)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyFMOHVOHRKZRLHN-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(5-amino-2-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882268
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 54882876
1-(5-amino-2-fluorobenzoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194198
(5-amino-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604305
(5-amino-4-fluoro-2-nitrophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62152121
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 60815500

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 60974941) is (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc(N)ccc1F.
What is the InChIKey of (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is FMOHVOHRKZRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-3-2-6-15(8)12(16)10-7-9(14)4-5-11(10)13/h4-5,7-8H,2-3,6,14H2,1H3.
What are the key properties of (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone?
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60974941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).