[5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone

C20H19FN2O — CID 23285741

IUPAC[5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)c3ccc(N)cc3F)[nH]2)cc1
InChIInChI=1S/C20H19FN2O/c1-12-3-5-14(6-4-12)20(24)19-10-9-18(23-19)13(2)16-8-7-15(22)11-17(16)21/h3-11,13,23H,22H2,1-2H3
InChIKeyRCAVPXHOOLTRPC-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.43
Rot. Bonds4

About [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone

[5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone (PubChem CID 23285741) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
PubChem CID23285741
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name[5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)c3ccc(N)cc3F)[nH]2)cc1
InChIInChI=1S/C20H19FN2O/c1-12-3-5-14(6-4-12)20(24)19-10-9-18(23-19)13(2)16-8-7-15(22)11-17(16)21/h3-11,13,23H,22H2,1-2H3
InChIKeyRCAVPXHOOLTRPC-UHFFFAOYSA-N
XLogP4.43
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone (CID 23285741) is [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C(C)c3ccc(N)cc3F)[nH]2)cc1.
What is the InChIKey of [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is RCAVPXHOOLTRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-12-3-5-14(6-4-12)20(24)19-10-9-18(23-19)13(2)16-8-7-15(22)11-17(16)21/h3-11,13,23H,22H2,1-2H3.
What are the key properties of [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone?
[5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 322.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(4-amino-2-fluorophenyl)ethyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 23285741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).