N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

C15H22FN3O — CID 61474061

IUPACN-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCC(CN1CCCC1)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-12(11-19-7-2-3-8-19)17-10-15(20)18-14-6-4-5-13(16)9-14/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3,(H,18,20)
InChIKeyBVRUARMALRCNPH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.84
Rot. Bonds6

About N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (PubChem CID 61474061) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
PubChem CID61474061
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCC(CN1CCCC1)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-12(11-19-7-2-3-8-19)17-10-15(20)18-14-6-4-5-13(16)9-14/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3,(H,18,20)
InChIKeyBVRUARMALRCNPH-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-(1-piperidin-1-ylpropan-2-ylamino)acetamide
CID 56712249
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
CID 2448759
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
N-(3-fluorophenyl)-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide
CID 111416777
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (CID 61474061) is N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is CC(CN1CCCC1)NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The InChIKey is BVRUARMALRCNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12(11-19-7-2-3-8-19)17-10-15(20)18-14-6-4-5-13(16)9-14/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 61474061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).