[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate

C18H18Cl2N2O4 — CID 8527932

IUPAC[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-10-5-4-6-11(2)16(10)25-9-15(23)26-12(3)18(24)22-17-14(20)7-13(19)8-21-17/h4-8,12H,9H2,1-3H3,(H,21,22,24)/t12-/m1/s1
InChIKeyQJQYMXCAQOYDJW-GFCCVEGCSA-N
MW397.26 g/mol
LogP3.95
Rot. Bonds6

About [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate

[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate (PubChem CID 8527932) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
PubChem CID8527932
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-10-5-4-6-11(2)16(10)25-9-15(23)26-12(3)18(24)22-17-14(20)7-13(19)8-21-17/h4-8,12H,9H2,1-3H3,(H,21,22,24)/t12-/m1/s1
InChIKeyQJQYMXCAQOYDJW-GFCCVEGCSA-N
XLogP3.95
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814475
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527877
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953446
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953558
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7265912
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773229
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527949
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3550366
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513518
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-fluorobenzoate
CID 16524070
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 4257149
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968846

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate?
The IUPAC name of [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate (CID 8527932) is [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate?
The canonical SMILES for [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate is Cc1cccc(C)c1OCC(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate?
The InChIKey is QJQYMXCAQOYDJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-10-5-4-6-11(2)16(10)25-9-15(23)26-12(3)18(24)22-17-14(20)7-13(19)8-21-17/h4-8,12H,9H2,1-3H3,(H,21,22,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate?
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate has a molecular weight of 397.26 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 8527932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).