[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate

C19H21ClN2O4 — CID 8938407

IUPAC[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-12(2)14-7-4-5-9-16(14)25-11-17(23)26-13(3)19(24)22-15-8-6-10-21-18(15)20/h4-10,12-13H,11H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyLXEQRLVHMMAABR-CYBMUJFWSA-N
MW376.84 g/mol
LogP3.81
Rot. Bonds7

About [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate

[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 8938407) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID8938407
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-12(2)14-7-4-5-9-16(14)25-11-17(23)26-13(3)19(24)22-15-8-6-10-21-18(15)20/h4-10,12-13H,11H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyLXEQRLVHMMAABR-CYBMUJFWSA-N
XLogP3.81
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885419
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 46623604
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384504
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956074
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 55418195
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938441
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735990
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909442
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061408
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526697
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate (CID 8938407) is [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccnc1Cl.
What is the InChIKey of [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is LXEQRLVHMMAABR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-12(2)14-7-4-5-9-16(14)25-11-17(23)26-13(3)19(24)22-15-8-6-10-21-18(15)20/h4-10,12-13H,11H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate?
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 376.84 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8938407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).