N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide

C15H22FN3O2 — CID 103530777

IUPACN-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
SMILESCOC1CCN(CCCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C15H22FN3O2/c1-21-12-6-8-19(10-12)7-2-3-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyQYLNSONBYXWKSO-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds6

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

N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide (PubChem CID 103530777) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
PubChem CID103530777
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
SMILESCOC1CCN(CCCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C15H22FN3O2/c1-21-12-6-8-19(10-12)7-2-3-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyQYLNSONBYXWKSO-UHFFFAOYSA-N
XLogP1.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
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-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide (CID 103530777) is N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide is COC1CCN(CCCC(=O)Nc2ccc(F)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
The InChIKey is QYLNSONBYXWKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-21-12-6-8-19(10-12)7-2-3-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide is sourced from PubChem (CID 103530777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).