[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate

C16H14ClFN2O4 — CID 7791568

IUPAC[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14ClFN2O4/c1-10(16(22)20-14-7-2-11(17)8-19-14)24-15(21)9-23-13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3,(H,19,20,22)/t10-/m1/s1
InChIKeyIOKSGNCSJWGNRZ-SNVBAGLBSA-N
MW352.75 g/mol
LogP2.82
Rot. Bonds6

About [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791568) 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-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
PubChem CID7791568
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC Name[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14ClFN2O4/c1-10(16(22)20-14-7-2-11(17)8-19-14)24-15(21)9-23-13-5-3-12(18)4-6-13/h2-8,10H,9H2,1H3,(H,19,20,22)/t10-/m1/s1
InChIKeyIOKSGNCSJWGNRZ-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-(4-fluorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855516
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 7842256
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenoxy)propanamide
CID 42561555
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791474
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416666
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896898
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7227874
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46659685
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 8601395
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842589
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791456
[(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-(4-fluorophenoxy)acetate?
The IUPAC name of [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate (CID 7791568) is [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The InChIKey is IOKSGNCSJWGNRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-10(16(22)20-14-7-2-11(17)8-19-14)24-15(21)9-23-13-5-3-12(18)4-6-13/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-(4-fluorophenoxy)acetate?
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-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-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).