[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate

C14H11ClN2O3 — CID 2493718

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2O3/c15-11-6-7-12(16-8-11)17-13(18)9-20-14(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChIKeyUYGAPNPXKCJPQJ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.53
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate (PubChem CID 2493718) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
PubChem CID2493718
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2O3/c15-11-6-7-12(16-8-11)17-13(18)9-20-14(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChIKeyUYGAPNPXKCJPQJ-UHFFFAOYSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate (CID 2493718) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate?
The InChIKey is UYGAPNPXKCJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-6-7-12(16-8-11)17-13(18)9-20-14(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate has a molecular weight of 290.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 2493718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).