propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate

C20H19Cl2F3N2O4 — CID 24590698

IUPACpropan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate
SMILESCC(C)OC(=O)CC(NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1Cl
InChIInChI=1S/C20H19Cl2F3N2O4/c1-11(2)31-18(29)8-16(13-5-3-4-6-14(13)21)26-17(28)10-27-9-12(20(23,24)25)7-15(22)19(27)30/h3-7,9,11,16H,8,10H2,1-2H3,(H,26,28)
InChIKeyVEFPKRAOBXHSBU-UHFFFAOYSA-N
MW479.28 g/mol
LogP4.37
Rot. Bonds7

About propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate

propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate (PubChem CID 24590698) has the molecular formula C20H19Cl2F3N2O4 and a molecular weight of 479.28 g/mol. Its IUPAC name is propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate
PubChem CID24590698
Molecular FormulaC20H19Cl2F3N2O4
Molecular Weight479.28 g/mol
Exact Mass478.07
IUPAC Namepropan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate
SMILESCC(C)OC(=O)CC(NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1Cl
InChIInChI=1S/C20H19Cl2F3N2O4/c1-11(2)31-18(29)8-16(13-5-3-4-6-14(13)21)26-17(28)10-27-9-12(20(23,24)25)7-15(22)19(27)30/h3-7,9,11,16H,8,10H2,1-2H3,(H,26,28)
InChIKeyVEFPKRAOBXHSBU-UHFFFAOYSA-N
XLogP4.37
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate?
The IUPAC name of propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate (CID 24590698) is propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate?
The canonical SMILES for propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate is CC(C)OC(=O)CC(NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1Cl.
What is the InChIKey of propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate?
The InChIKey is VEFPKRAOBXHSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O4/c1-11(2)31-18(29)8-16(13-5-3-4-6-14(13)21)26-17(28)10-27-9-12(20(23,24)25)7-15(22)19(27)30/h3-7,9,11,16H,8,10H2,1-2H3,(H,26,28).
What are the key properties of propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate?
propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate has a molecular weight of 479.28 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 24590698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).