[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C15H14Cl2N4O3 — CID 46602839

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)c1ncccn1
InChIInChI=1S/C15H14Cl2N4O3/c1-21(15-18-6-3-7-19-15)8-13(23)24-9-12(22)20-11-5-2-4-10(16)14(11)17/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyFWTXTWVVVFGZLN-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.40
Rot. Bonds6

About [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46602839) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46602839
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)c1ncccn1
InChIInChI=1S/C15H14Cl2N4O3/c1-21(15-18-6-3-7-19-15)8-13(23)24-9-12(22)20-11-5-2-4-10(16)14(11)17/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyFWTXTWVVVFGZLN-UHFFFAOYSA-N
XLogP2.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701724
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602638
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425533
cis-[2-(2,3-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020700
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602784
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609856
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46602839) is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CN(CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)c1ncccn1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is FWTXTWVVVFGZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-21(15-18-6-3-7-19-15)8-13(23)24-9-12(22)20-11-5-2-4-10(16)14(11)17/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 369.21 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46602839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).