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

C15H13ClN2O3 — CID 2477493

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18,19)
InChIKeyNBVRGKVQBPHIJB-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.46
Rot. Bonds5

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate (PubChem CID 2477493) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
PubChem CID2477493
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18,19)
InChIKeyNBVRGKVQBPHIJB-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.46
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] 2-phenylacetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate (CID 2477493) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
The InChIKey is NBVRGKVQBPHIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate has a molecular weight of 304.73 g/mol, XLogP of 2.46, 5 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] 2-phenylacetate is sourced from PubChem (CID 2477493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).