[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate

C16H14ClFN2O4 — CID 7842256

IUPAC[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1F)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14ClFN2O4/c1-10(16(22)20-14-7-6-11(17)8-19-14)24-15(21)9-23-13-5-3-2-4-12(13)18/h2-8,10H,9H2,1H3,(H,19,20,22)/t10-/m1/s1
InChIKeyMIZRXPIYAXSCRF-SNVBAGLBSA-N
MW352.75 g/mol
LogP2.82
Rot. Bonds6

About [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842256) has the molecular formula C16H14ClFN2O4 and a molecular weight of 352.75 g/mol. Its IUPAC name is [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
PubChem CID7842256
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC Name[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1F)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14ClFN2O4/c1-10(16(22)20-14-7-6-11(17)8-19-14)24-15(21)9-23-13-5-3-2-4-12(13)18/h2-8,10H,9H2,1H3,(H,19,20,22)/t10-/m1/s1
InChIKeyMIZRXPIYAXSCRF-SNVBAGLBSA-N
XLogP2.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 9328608
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855516
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7227874
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763681
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229608
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819689
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 41044858
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664111

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate (CID 7842256) is [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate is C[C@@H](OC(=O)COc1ccccc1F)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate?
The InChIKey is MIZRXPIYAXSCRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-10(16(22)20-14-7-6-11(17)8-19-14)24-15(21)9-23-13-5-3-2-4-12(13)18/h2-8,10H,9H2,1H3,(H,19,20,22)/t10-/m1/s1.
What are the key properties of [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate?
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate has a molecular weight of 352.75 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).