[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C17H19ClN4O4 — CID 46602739

IUPAC[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)OC(=O)CN(C)c1ncccn1
InChIInChI=1S/C17H19ClN4O4/c1-11(16(24)21-13-9-12(18)5-6-14(13)25-3)26-15(23)10-22(2)17-19-7-4-8-20-17/h4-9,11H,10H2,1-3H3,(H,21,24)
InChIKeyHIQXWNJWTDYLDA-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.15
Rot. Bonds7

About [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46602739) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46602739
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)OC(=O)CN(C)c1ncccn1
InChIInChI=1S/C17H19ClN4O4/c1-11(16(24)21-13-9-12(18)5-6-14(13)25-3)26-15(23)10-22(2)17-19-7-4-8-20-17/h4-9,11H,10H2,1-3H3,(H,21,24)
InChIKeyHIQXWNJWTDYLDA-UHFFFAOYSA-N
XLogP2.15
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950775
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 42969587
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-ethylimidazole-2-carboxylate
CID 4785233
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147098
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708079
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 2506054
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805410
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147758
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7953599
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773233

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46602739) is [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate is COc1ccc(Cl)cc1NC(=O)C(C)OC(=O)CN(C)c1ncccn1.
What is the InChIKey of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is HIQXWNJWTDYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-11(16(24)21-13-9-12(18)5-6-14(13)25-3)26-15(23)10-22(2)17-19-7-4-8-20-17/h4-9,11H,10H2,1-3H3,(H,21,24).
What are the key properties of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 378.82 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46602739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).