N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

C14H20FN3O2 — CID 103355524

IUPACN-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)N1CCC(C)(O)C1
InChIInChI=1S/C14H20FN3O2/c1-9(18-6-5-14(2,20)8-18)13(19)17-12-7-10(16)3-4-11(12)15/h3-4,7,9,20H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyZQQUFMUNLCPVRE-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.19
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (PubChem CID 103355524) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
PubChem CID103355524
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)N1CCC(C)(O)C1
InChIInChI=1S/C14H20FN3O2/c1-9(18-6-5-14(2,20)8-18)13(19)17-12-7-10(16)3-4-11(12)15/h3-4,7,9,20H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyZQQUFMUNLCPVRE-UHFFFAOYSA-N
XLogP1.19
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355465
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66391278
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(2,5-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984158
1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103356850
N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
CID 62349835

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (CID 103355524) is N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is CC(C(=O)Nc1cc(N)ccc1F)N1CCC(C)(O)C1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is ZQQUFMUNLCPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9(18-6-5-14(2,20)8-18)13(19)17-12-7-10(16)3-4-11(12)15/h3-4,7,9,20H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103355524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).