(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone

C12H14F2N2O — CID 63185506

IUPAC(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C12H14F2N2O/c1-7-2-3-16(6-7)12(17)8-4-9(13)11(15)10(14)5-8/h4-5,7H,2-3,6,15H2,1H3
InChIKeySAUYZAOCZKZIJV-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.03
Rot. Bonds1

About (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone

(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 63185506) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID63185506
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C12H14F2N2O/c1-7-2-3-16(6-7)12(17)8-4-9(13)11(15)10(14)5-8/h4-5,7H,2-3,6,15H2,1H3
InChIKeySAUYZAOCZKZIJV-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628
(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 176513313
(4-amino-3-chloro-5-nitrophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62160321
[3-(dimethylamino)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 55159465
(4-amino-3,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 63186086
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(3-amino-5-fluoro-4-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166231

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 63185506) is (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2cc(F)c(N)c(F)c2)C1.
What is the InChIKey of (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is SAUYZAOCZKZIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-2-3-16(6-7)12(17)8-4-9(13)11(15)10(14)5-8/h4-5,7H,2-3,6,15H2,1H3.
What are the key properties of (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 240.25 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 (4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63185506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).