N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

C15H22FN3O2 — CID 102777811

IUPACN-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(N)ccc2F)C1CO
InChIInChI=1S/C15H22FN3O2/c1-10-4-6-19(14(10)9-20)7-5-15(21)18-13-8-11(17)2-3-12(13)16/h2-3,8,10,14,20H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyMCAJJPKDGDJEEE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.44
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (PubChem CID 102777811) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
PubChem CID102777811
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(N)ccc2F)C1CO
InChIInChI=1S/C15H22FN3O2/c1-10-4-6-19(14(10)9-20)7-5-15(21)18-13-8-11(17)2-3-12(13)16/h2-3,8,10,14,20H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyMCAJJPKDGDJEEE-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.44
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)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777659
N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
CID 62329763
N-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
CID 71923317
N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
CID 115683515
N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide
CID 104679768
N-(5-amino-2-fluorophenyl)-3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 71923341
N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide
CID 84586015
N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787690
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (CID 102777811) is N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is CC1CCN(CCC(=O)Nc2cc(N)ccc2F)C1CO.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The InChIKey is MCAJJPKDGDJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10-4-6-19(14(10)9-20)7-5-15(21)18-13-8-11(17)2-3-12(13)16/h2-3,8,10,14,20H,4-7,9,17H2,1H3,(H,18,21).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.44, 5 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)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 102777811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).