[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate

C17H15ClFNO3 — CID 8632858

IUPAC[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(17(22)20-14-8-6-13(19)7-9-14)23-16(21)10-12-4-2-3-5-15(12)18/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyCSLPMMYPEUAVQY-LLVKDONJSA-N
MW335.76 g/mol
LogP3.59
Rot. Bonds5

About [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate (PubChem CID 8632858) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
PubChem CID8632858
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(17(22)20-14-8-6-13(19)7-9-14)23-16(21)10-12-4-2-3-5-15(12)18/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyCSLPMMYPEUAVQY-LLVKDONJSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724829
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724833
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767113
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632549
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886294
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590380
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759131
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate (CID 8632858) is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate is C[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate?
The InChIKey is CSLPMMYPEUAVQY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11(17(22)20-14-8-6-13(19)7-9-14)23-16(21)10-12-4-2-3-5-15(12)18/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate?
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate has a molecular weight of 335.76 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 8632858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).