N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide

C20H24FN3O — CID 84586015

IUPACN-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide
SMILESCC1CC(c2ccccc2)CN1CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C20H24FN3O/c1-14-11-16(15-5-3-2-4-6-15)13-24(14)10-9-20(25)23-19-12-17(22)7-8-18(19)21/h2-8,12,14,16H,9-11,13,22H2,1H3,(H,23,25)
InChIKeyJNSKQDJITIPQKE-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.61
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide (PubChem CID 84586015) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide
PubChem CID84586015
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide
SMILESCC1CC(c2ccccc2)CN1CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C20H24FN3O/c1-14-11-16(15-5-3-2-4-6-15)13-24(14)10-9-20(25)23-19-12-17(22)7-8-18(19)21/h2-8,12,14,16H,9-11,13,22H2,1H3,(H,23,25)
InChIKeyJNSKQDJITIPQKE-UHFFFAOYSA-N
XLogP3.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811
N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
CID 115683515
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CID 71923317
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-(3-methyl-2-oxopiperidin-1-yl)propanamide
CID 104679768
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81195911
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide (CID 84586015) is N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide is CC1CC(c2ccccc2)CN1CCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide?
The InChIKey is JNSKQDJITIPQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-14-11-16(15-5-3-2-4-6-15)13-24(14)10-9-20(25)23-19-12-17(22)7-8-18(19)21/h2-8,12,14,16H,9-11,13,22H2,1H3,(H,23,25).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 84586015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).