N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide

C14H20FN3O2 — CID 103530921

IUPACN-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(F)cc2N)C1
InChIInChI=1S/C14H20FN3O2/c1-9(18-6-5-11(8-18)20-2)14(19)17-13-4-3-10(15)7-12(13)16/h3-4,7,9,11H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyDEFPBALQOXAKFD-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.46
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide

N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide (PubChem CID 103530921) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
PubChem CID103530921
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(F)cc2N)C1
InChIInChI=1S/C14H20FN3O2/c1-9(18-6-5-11(8-18)20-2)14(19)17-13-4-3-10(15)7-12(13)16/h3-4,7,9,11H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyDEFPBALQOXAKFD-UHFFFAOYSA-N
XLogP1.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.46
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-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 56810586
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
N-(2-amino-4-fluorophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66084653
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 154749994
N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124049
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide (CID 103530921) is N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide is COC1CCN(C(C)C(=O)Nc2ccc(F)cc2N)C1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide?
The InChIKey is DEFPBALQOXAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9(18-6-5-11(8-18)20-2)14(19)17-13-4-3-10(15)7-12(13)16/h3-4,7,9,11H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide?
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103530921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).