[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate

C18H14ClNO5 — CID 26985367

IUPAC[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
SMILESO=C(COC(=O)c1ccoc1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14ClNO5/c19-14-3-1-12(2-4-14)16-6-5-15(25-16)9-20-17(21)11-24-18(22)13-7-8-23-10-13/h1-8,10H,9,11H2,(H,20,21)
InChIKeyWGLZINMZVCKOIJ-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.67
Rot. Bonds6

About [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate

[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate (PubChem CID 26985367) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
PubChem CID26985367
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
SMILESO=C(COC(=O)c1ccoc1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14ClNO5/c19-14-3-1-12(2-4-14)16-6-5-15(25-16)9-20-17(21)11-24-18(22)13-7-8-23-10-13/h1-8,10H,9,11H2,(H,20,21)
InChIKeyWGLZINMZVCKOIJ-UHFFFAOYSA-N
XLogP3.67
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate (CID 26985367) is [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate is O=C(COC(=O)c1ccoc1)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate?
The InChIKey is WGLZINMZVCKOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c19-14-3-1-12(2-4-14)16-6-5-15(25-16)9-20-17(21)11-24-18(22)13-7-8-23-10-13/h1-8,10H,9,11H2,(H,20,21).
What are the key properties of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate?
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate has a molecular weight of 359.77 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 26985367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).