(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

C16H20F2N2O — CID 79758114

IUPAC(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCCC2C2CCCC2)c1F
InChIInChI=1S/C16H20F2N2O/c17-11-7-8-12(19)15(18)14(11)16(21)20-9-3-6-13(20)10-4-1-2-5-10/h7-8,10,13H,1-6,9,19H2
InChIKeyMNBAQCKDOFPXIK-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.34
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 79758114) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID79758114
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCCC2C2CCCC2)c1F
InChIInChI=1S/C16H20F2N2O/c17-11-7-8-12(19)15(18)14(11)16(21)20-9-3-6-13(20)10-4-1-2-5-10/h7-8,10,13H,1-6,9,19H2
InChIKeyMNBAQCKDOFPXIK-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.34
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

(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 79772878
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-6-fluorophenyl)methanone
CID 115678205
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-amino-3-hydroxyphenyl)methanone
CID 102739427
(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61110649
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-hydroxyphenyl)methanone
CID 107075495
(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027342
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
CID 79768262
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
(3-amino-2,6-difluorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 79759271
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 60589048
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 79758114) is (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is Nc1ccc(F)c(C(=O)N2CCCC2C2CCCC2)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is MNBAQCKDOFPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-11-7-8-12(19)15(18)14(11)16(21)20-9-3-6-13(20)10-4-1-2-5-10/h7-8,10,13H,1-6,9,19H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 294.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79758114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).