N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide

C15H22FN3O — CID 79188944

IUPACN-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2cc(N)ccc2F)CC1C
InChIInChI=1S/C15H22FN3O/c1-9-7-19(8-10(9)2)11(3)15(20)18-14-6-12(17)4-5-13(14)16/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)
InChIKeyBNXKNBARPVAEGY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.32
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 79188944) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
PubChem CID79188944
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2cc(N)ccc2F)CC1C
InChIInChI=1S/C15H22FN3O/c1-9-7-19(8-10(9)2)11(3)15(20)18-14-6-12(17)4-5-13(14)16/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)
InChIKeyBNXKNBARPVAEGY-UHFFFAOYSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide 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

N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66391278
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79177188
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355524
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide (CID 79188944) is N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide is CC1CN(C(C)C(=O)Nc2cc(N)ccc2F)CC1C.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is BNXKNBARPVAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-9-7-19(8-10(9)2)11(3)15(20)18-14-6-12(17)4-5-13(14)16/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 79188944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).