2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide

C15H22FN3O — CID 60856879

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
SMILESCCN1CCC(CNCC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O/c1-2-19-8-7-12(11-19)9-17-10-15(20)18-14-5-3-13(16)4-6-14/h3-6,12,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyYFJGFXYCSIOXQX-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.70
Rot. Bonds6

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 60856879) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID60856879
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
SMILESCCN1CCC(CNCC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O/c1-2-19-8-7-12(11-19)9-17-10-15(20)18-14-5-3-13(16)4-6-14/h3-6,12,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyYFJGFXYCSIOXQX-UHFFFAOYSA-N
XLogP1.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 115626310
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
CID 60857365
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 60975482
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide (CID 60856879) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide is CCN1CCC(CNCC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is YFJGFXYCSIOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-19-8-7-12(11-19)9-17-10-15(20)18-14-5-3-13(16)4-6-14/h3-6,12,17H,2,7-11H2,1H3,(H,18,20).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 60856879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).