[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

C15H12BrClN2O3 — CID 2569892

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12BrClN2O3/c16-11-3-1-10(2-4-11)7-15(21)22-9-14(20)19-13-6-5-12(17)8-18-13/h1-6,8H,7,9H2,(H,18,19,20)
InChIKeyXCIIMCBJEBZEAU-UHFFFAOYSA-N
MW383.63 g/mol
LogP3.22
Rot. Bonds5

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 2569892) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID2569892
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H12BrClN2O3/c16-11-3-1-10(2-4-11)7-15(21)22-9-14(20)19-13-6-5-12(17)8-18-13/h1-6,8H,7,9H2,(H,18,19,20)
InChIKeyXCIIMCBJEBZEAU-UHFFFAOYSA-N
XLogP3.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.22
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-(4-bromophenyl)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 2569892) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is O=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is XCIIMCBJEBZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-11-3-1-10(2-4-11)7-15(21)22-9-14(20)19-13-6-5-12(17)8-18-13/h1-6,8H,7,9H2,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 383.63 g/mol, XLogP of 3.22, 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-(4-bromophenyl)acetate is sourced from PubChem (CID 2569892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).