[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate

C15H14Cl2N4O3 — CID 55701724

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESO=C(COC(=O)CCNc1ncccn1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N4O3/c16-10-3-1-4-11(14(10)17)21-12(22)9-24-13(23)5-8-20-15-18-6-2-7-19-15/h1-4,6-7H,5,8-9H2,(H,21,22)(H,18,19,20)
InChIKeyIIDXCOSHOJNJIW-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.77
Rot. Bonds7

About [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate (PubChem CID 55701724) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
PubChem CID55701724
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESO=C(COC(=O)CCNc1ncccn1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N4O3/c16-10-3-1-4-11(14(10)17)21-12(22)9-24-13(23)5-8-20-15-18-6-2-7-19-15/h1-4,6-7H,5,8-9H2,(H,21,22)(H,18,19,20)
InChIKeyIIDXCOSHOJNJIW-UHFFFAOYSA-N
XLogP2.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602839
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55999257
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212949
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
CID 17258736
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701633
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609856
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate
CID 40680707
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065484

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate (CID 55701724) is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate is O=C(COC(=O)CCNc1ncccn1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
The InChIKey is IIDXCOSHOJNJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c16-10-3-1-4-11(14(10)17)21-12(22)9-24-13(23)5-8-20-15-18-6-2-7-19-15/h1-4,6-7H,5,8-9H2,(H,21,22)(H,18,19,20).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate has a molecular weight of 369.21 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate is sourced from PubChem (CID 55701724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).