[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

C20H15Cl2FN2O5 — CID 16535910

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2FN2O5/c1-11-15(21)8-16(22)19(24-11)25-18(26)10-29-20(27)17-7-6-14(30-17)9-28-13-4-2-12(23)3-5-13/h2-8H,9-10H2,1H3,(H,24,25,26)
InChIKeyLDMQTZUJGSWUFC-UHFFFAOYSA-N
MW453.25 g/mol
LogP4.80
Rot. Bonds7

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (PubChem CID 16535910) has the molecular formula C20H15Cl2FN2O5 and a molecular weight of 453.25 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
PubChem CID16535910
Molecular FormulaC20H15Cl2FN2O5
Molecular Weight453.25 g/mol
Exact Mass452.03
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2FN2O5/c1-11-15(21)8-16(22)19(24-11)25-18(26)10-29-20(27)17-7-6-14(30-17)9-28-13-4-2-12(23)3-5-13/h2-8H,9-10H2,1H3,(H,24,25,26)
InChIKeyLDMQTZUJGSWUFC-UHFFFAOYSA-N
XLogP4.80
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 1269620
5-[(4-ethoxyphenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 2165954
N-(5-chloro(2-pyridyl)){5-[(2-methoxyphenoxy)methyl](2-furyl)}carboxamide
CID 1084336
[2-[(3,5-Dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 4782376
N-(6-methylpyridin-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24240394
N-(5-chloropyridin-2-yl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 1223030
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5825868
[2-[(3,5-Dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791329
[2-[(3,5-Dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8005222
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8335992
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8335993

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (CID 16535910) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is Cc1nc(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is LDMQTZUJGSWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O5/c1-11-15(21)8-16(22)19(24-11)25-18(26)10-29-20(27)17-7-6-14(30-17)9-28-13-4-2-12(23)3-5-13/h2-8H,9-10H2,1H3,(H,24,25,26).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 453.25 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 16535910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).