[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate

C24H16ClNO5 — CID 18883704

IUPAC[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C24H16ClNO5/c1-14(27)30-20-9-5-3-7-18(20)24(29)26-21-17-6-2-4-8-19(17)31-23(21)22(28)15-10-12-16(25)13-11-15/h2-13H,1H3,(H,26,29)
InChIKeyIMPJCVATZCIUCR-UHFFFAOYSA-N
MW433.85 g/mol
LogP5.49
Rot. Bonds5

About [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate

[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate (PubChem CID 18883704) has the molecular formula C24H16ClNO5 and a molecular weight of 433.85 g/mol. Its IUPAC name is [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
PubChem CID18883704
Molecular FormulaC24H16ClNO5
Molecular Weight433.85 g/mol
Exact Mass433.07
IUPAC Name[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C24H16ClNO5/c1-14(27)30-20-9-5-3-7-18(20)24(29)26-21-17-6-2-4-8-19(17)31-23(21)22(28)15-10-12-16(25)13-11-15/h2-13H,1H3,(H,26,29)
InChIKeyIMPJCVATZCIUCR-UHFFFAOYSA-N
XLogP5.49
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.85
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
CID 2138486
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate (CID 18883704) is [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate?
The InChIKey is IMPJCVATZCIUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO5/c1-14(27)30-20-9-5-3-7-18(20)24(29)26-21-17-6-2-4-8-19(17)31-23(21)22(28)15-10-12-16(25)13-11-15/h2-13H,1H3,(H,26,29).
What are the key properties of [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate?
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate has a molecular weight of 433.85 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 18883704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).