[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C17H15Cl2N3O5 — CID 2373890

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2N3O5/c1-26-12-4-2-3-10(5-12)17(25)21-8-15(24)27-9-14(23)22-16-13(19)6-11(18)7-20-16/h2-7H,8-9H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyIHDZGHBVCWGDFA-UHFFFAOYSA-N
MW412.23 g/mol
LogP2.31
Rot. Bonds7

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 2373890) has the molecular formula C17H15Cl2N3O5 and a molecular weight of 412.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID2373890
Molecular FormulaC17H15Cl2N3O5
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2N3O5/c1-26-12-4-2-3-10(5-12)17(25)21-8-15(24)27-9-14(23)22-16-13(19)6-11(18)7-20-16/h2-7H,8-9H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyIHDZGHBVCWGDFA-UHFFFAOYSA-N
XLogP2.31
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 2373890) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is IHDZGHBVCWGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O5/c1-26-12-4-2-3-10(5-12)17(25)21-8-15(24)27-9-14(23)22-16-13(19)6-11(18)7-20-16/h2-7H,8-9H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 412.23 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2373890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).