N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide

C15H22FN3O2 — CID 64569430

IUPACN-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOCC1CCN(C(C)C(=O)Nc2cc(N)ccc2F)C1
InChIInChI=1S/C15H22FN3O2/c1-10(19-6-5-11(8-19)9-21-2)15(20)18-14-7-12(17)3-4-13(14)16/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyMAXCSBXIMDZYSE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.70
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide

N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 64569430) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID64569430
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOCC1CCN(C(C)C(=O)Nc2cc(N)ccc2F)C1
InChIInChI=1S/C15H22FN3O2/c1-10(19-6-5-11(8-19)9-21-2)15(20)18-14-7-12(17)3-4-13(14)16/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyMAXCSBXIMDZYSE-UHFFFAOYSA-N
XLogP1.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66391278
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
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-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide (CID 64569430) is N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide is COCC1CCN(C(C)C(=O)Nc2cc(N)ccc2F)C1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is MAXCSBXIMDZYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(19-6-5-11(8-19)9-21-2)15(20)18-14-7-12(17)3-4-13(14)16/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide?
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 64569430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).