[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate

C17H16Cl2N2O3 — CID 16520859

IUPAC[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-11(17(23)21-16-14(19)9-13(18)10-20-16)24-15(22)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,20,21,23)
InChIKeyKQLOIXMZMVGAKN-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.89
Rot. Bonds6

About [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate

[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate (PubChem CID 16520859) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
PubChem CID16520859
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-11(17(23)21-16-14(19)9-13(18)10-20-16)24-15(22)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,20,21,23)
InChIKeyKQLOIXMZMVGAKN-UHFFFAOYSA-N
XLogP3.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
The IUPAC name of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate (CID 16520859) is [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate.
What is the SMILES notation for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
The canonical SMILES for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate is CC(OC(=O)CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
The InChIKey is KQLOIXMZMVGAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-11(17(23)21-16-14(19)9-13(18)10-20-16)24-15(22)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,20,21,23).
What are the key properties of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate has a molecular weight of 367.23 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate is sourced from PubChem (CID 16520859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).