[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C24H18ClNO5 — CID 26686582

IUPAC[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)Oc3ccc(NC(=O)c4ccccc4Cl)cc3)coc2c1
InChIInChI=1S/C24H18ClNO5/c1-29-18-10-11-19-15(14-30-22(19)13-18)12-23(27)31-17-8-6-16(7-9-17)26-24(28)20-4-2-3-5-21(20)25/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeySPHYGWXXFBNPCY-UHFFFAOYSA-N
MW435.86 g/mol
LogP5.50
Rot. Bonds6

About [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 26686582) has the molecular formula C24H18ClNO5 and a molecular weight of 435.86 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID26686582
Molecular FormulaC24H18ClNO5
Molecular Weight435.86 g/mol
Exact Mass435.09
IUPAC Name[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)Oc3ccc(NC(=O)c4ccccc4Cl)cc3)coc2c1
InChIInChI=1S/C24H18ClNO5/c1-29-18-10-11-19-15(14-30-22(19)13-18)12-23(27)31-17-8-6-16(7-9-17)26-24(28)20-4-2-3-5-21(20)25/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeySPHYGWXXFBNPCY-UHFFFAOYSA-N
XLogP5.50
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 26686582) is [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)Oc3ccc(NC(=O)c4ccccc4Cl)cc3)coc2c1.
What is the InChIKey of [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is SPHYGWXXFBNPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO5/c1-29-18-10-11-19-15(14-30-22(19)13-18)12-23(27)31-17-8-6-16(7-9-17)26-24(28)20-4-2-3-5-21(20)25/h2-11,13-14H,12H2,1H3,(H,26,28).
What are the key properties of [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 435.86 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 26686582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).