methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate

C16H13Cl2F2N3O4 — CID 175232153

IUPACmethyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H13Cl2F2N3O4/c1-26-8(24)5-22-16(25)14-9(18)12(21)11(20)13(23-14)6-3-4-7(17)15(27-2)10(6)19/h3-4H,5H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyJHXCMKQNOPCBRM-UHFFFAOYSA-N
MW420.20 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate

methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate (PubChem CID 175232153) has the molecular formula C16H13Cl2F2N3O4 and a molecular weight of 420.20 g/mol. Its IUPAC name is methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
PubChem CID175232153
Molecular FormulaC16H13Cl2F2N3O4
Molecular Weight420.20 g/mol
Exact Mass419.03
IUPAC Namemethyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H13Cl2F2N3O4/c1-26-8(24)5-22-16(25)14-9(18)12(21)11(20)13(23-14)6-3-4-7(17)15(27-2)10(6)19/h3-4H,5H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyJHXCMKQNOPCBRM-UHFFFAOYSA-N
XLogP2.83
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.20
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate (CID 175232153) is methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate?
The InChIKey is JHXCMKQNOPCBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2N3O4/c1-26-8(24)5-22-16(25)14-9(18)12(21)11(20)13(23-14)6-3-4-7(17)15(27-2)10(6)19/h3-4H,5H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate?
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate has a molecular weight of 420.20 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 175232153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).