[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

C15H18FNO3 — CID 42900728

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(OC(=O)C1CCCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-10(20-15(19)11-4-2-3-5-11)14(18)17-13-8-6-12(16)7-9-13/h6-11H,2-5H2,1H3,(H,17,18)
InChIKeyYPGNZEGHMPVCDN-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.89
Rot. Bonds4

About [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 42900728) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID42900728
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(OC(=O)C1CCCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-10(20-15(19)11-4-2-3-5-11)14(18)17-13-8-6-12(16)7-9-13/h6-11H,2-5H2,1H3,(H,17,18)
InChIKeyYPGNZEGHMPVCDN-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717348
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717556
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 8020238
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 2511069
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoate
CID 42353174
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360041
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 26747601
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7958995

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 42900728) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is CC(OC(=O)C1CCCC1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is YPGNZEGHMPVCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(20-15(19)11-4-2-3-5-11)14(18)17-13-8-6-12(16)7-9-13/h6-11H,2-5H2,1H3,(H,17,18).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 42900728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).