(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C15H20FN3O2 — CID 63167995

IUPAC(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC(N3CCOCC3)C2)c1
InChIInChI=1S/C15H20FN3O2/c16-14-2-1-11(17)9-13(14)15(20)19-4-3-12(10-19)18-5-7-21-8-6-18/h1-2,9,12H,3-8,10,17H2
InChIKeyPYYWXWKMCSYWRY-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.95
Rot. Bonds2

About (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 63167995) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID63167995
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC(N3CCOCC3)C2)c1
InChIInChI=1S/C15H20FN3O2/c16-14-2-1-11(17)9-13(14)15(20)19-4-3-12(10-19)18-5-7-21-8-6-18/h1-2,9,12H,3-8,10,17H2
InChIKeyPYYWXWKMCSYWRY-UHFFFAOYSA-N
XLogP0.95
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 63167995) is (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is Nc1ccc(F)c(C(=O)N2CCC(N3CCOCC3)C2)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is PYYWXWKMCSYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-14-2-1-11(17)9-13(14)15(20)19-4-3-12(10-19)18-5-7-21-8-6-18/h1-2,9,12H,3-8,10,17H2.
What are the key properties of (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 293.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63167995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).