2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide

C16H22FN3O — CID 116676043

IUPAC2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2)c(F)c1)C1CNC1
InChIInChI=1S/C16H22FN3O/c1-11(12-9-18-10-12)16(21)19-13-4-5-15(14(17)8-13)20-6-2-3-7-20/h4-5,8,11-12,18H,2-3,6-7,9-10H2,1H3,(H,19,21)
InChIKeyFRTGRPLIQDLFEJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.22
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide

2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 116676043) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID116676043
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2)c(F)c1)C1CNC1
InChIInChI=1S/C16H22FN3O/c1-11(12-9-18-10-12)16(21)19-13-4-5-15(14(17)8-13)20-6-2-3-7-20/h4-5,8,11-12,18H,2-3,6-7,9-10H2,1H3,(H,19,21)
InChIKeyFRTGRPLIQDLFEJ-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
CID 116675472
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide (CID 116676043) is 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCCC2)c(F)c1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is FRTGRPLIQDLFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11(12-9-18-10-12)16(21)19-13-4-5-15(14(17)8-13)20-6-2-3-7-20/h4-5,8,11-12,18H,2-3,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide?
2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 291.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 116676043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).