[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate

C18H18Cl2N2O4 — CID 7762797

IUPAC[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESC[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(16(23)22-15-9-6-13(20)10-21-15)25-17(24)18(2,3)26-14-7-4-12(19)5-8-14/h4-11H,1-3H3,(H,21,22,23)/t11-/m0/s1
InChIKeyGTOVWHRMVCOWEW-NSHDSACASA-N
MW397.26 g/mol
LogP4.12
Rot. Bonds6

About [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 7762797) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID7762797
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESC[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(16(23)22-15-9-6-13(20)10-21-15)25-17(24)18(2,3)26-14-7-4-12(19)5-8-14/h4-11H,1-3H3,(H,21,22,23)/t11-/m0/s1
InChIKeyGTOVWHRMVCOWEW-NSHDSACASA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855516
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762659
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762795
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7951044
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenoxy)propanamide
CID 42561555
2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)-2-methylpropanamide
CID 17098530
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7868011
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
cis-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7777965
trans-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777961
[(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 [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 7762797) is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate is C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is GTOVWHRMVCOWEW-NSHDSACASA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11(16(23)22-15-9-6-13(20)10-21-15)25-17(24)18(2,3)26-14-7-4-12(19)5-8-14/h4-11H,1-3H3,(H,21,22,23)/t11-/m0/s1.
What are the key properties of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 397.26 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 7762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).